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# Chemical Forums

## General Forums => Comments for Staff and Comments from Staff => Topic started by: curiouscat on December 01, 2012, 08:39:17 AM

Title: Sandbox?
Post by: curiouscat on December 01, 2012, 08:39:17 AM
Can I request a Sandbox thread or area? Often I can't get my LaTex code or SMILE right at first go and it'd be nice to have somewhere to test. I sweat trying to compete against the 30 minute modify limit.   :)

PS. The Preview feature doesn't seem to render Tex? Or maybe it's only my stupid browser?

Wondering what others think..
Title: Re: Sandbox?
Post by: Borek on December 01, 2012, 08:55:16 AM
Tex is not rendered in the preview and unfortunately there is not much that can be done about it - preview is fetched from the server without reloading the page, and MathJax script runs on a page load. On the other hand SMILES images are created server side, so they are displayed in the preview.

We can devote some thread to testing and delete the content now and then, no problem. I can't think of a better solution at the moment. But I am open to suggestions.

It is possible to create some simple sandbox for MathJax, but it would be not integrated with the forum itself, not the idea that I like.
Title: Re: Sandbox?
Post by: curiouscat on December 01, 2012, 08:56:56 AM
We can devote some thread to testing and delete the content now and then, no problem.

That's the solution I had in mind.
Title: Re: Sandbox?
Post by: Dan on December 01, 2012, 09:07:55 AM
This would be useful, I also never get Tex right first time.

Just had a thought, can you PM yourself to test it?

You can PM yourself Tex to test it.
Title: Re: Sandbox?
Post by: curiouscat on December 01, 2012, 09:10:21 AM
This would be useful, I also never get Tex right first time.

Just had a thought, can you PM yourself to test it?

You can PM yourself Tex to test it.

Yep! Works.
Title: Re: Sandbox?
Post by: curiouscat on December 12, 2012, 01:23:18 PM
Just testing to see if I could draw the species in this thread with SMILES

http://www.chemicalforums.com/index.php?topic=64389.0;topicseen

Title: Re: Sandbox?
Post by: Yggdrasil on December 12, 2012, 01:33:36 PM
The following site has a nice sandbox for testing out LaTeX code (and is a good reference as well).

http://www.forkosh.com/mimetextutorial.html
Title: Re: Sandbox?
Post by: curiouscat on December 12, 2012, 01:36:21 PM
The following site has a nice sandbox for testing out LaTeX code (and is a good reference as well).

http://www.forkosh.com/mimetextutorial.html

Thanks! Loved the site!
Title: Re: Sandbox?
Post by: Borek on December 12, 2012, 02:13:18 PM
Thanks Ygg, I have added link to the forkosh sandbox to the post formatting info.
Title: Re: Sandbox?
Post by: Borek on December 12, 2012, 02:15:20 PM

Apparently SMILES don't like new lines in the SMILES code. Obvious, but I have never thought about it earlier.

Title: Re: Sandbox?
Post by: curiouscat on December 12, 2012, 02:16:58 PM

Apparently SMILES don't like new lines in the SMILES code. Obvious, but I have never thought about it earlier.

Ahhhh!   :P  Thanks!
Title: Re: Sandbox?
Post by: Borek on December 13, 2012, 08:11:56 AM
New lines should be dealt with (almost) correctly now.

ALT text is still wrong, but this is more difficult to deal with due to the way things are organized in the forum code.

Title: Re: Sandbox?
Post by: curiouscat on December 13, 2012, 08:54:57 AM
Trying to test the limits by rendering Palytoxin. Let's see if I can break anything. :)

Title: Re: Sandbox?
Post by: sjb on December 13, 2012, 09:13:59 AM
Yeah, I looked at that the other day for the other thread, note that the wiki SMILES doesn't have stereochemical information on it.
Title: Re: Sandbox?
Post by: Borek on December 13, 2012, 09:45:13 AM
Not always good for forum formatting, but apparently the engine survived.

Although rendered image is not following IUPAC suggestions - it should be more compact. There are things that can be improved in the indigo, so far one of my suggestions made its way into the code (but I have no idea when it is will be released).
Title: Re: Sandbox?
Post by: curiouscat on December 13, 2012, 09:58:41 AM
Not always good for forum formatting, but apparently the engine survived.

Although rendered image is not following IUPAC suggestions - it should be more compact. There are things that can be improved in the indigo, so far one of my suggestions made its way into the code (but I have no idea when it is will be released).

Still impressive.  I was expecting an error message when I put that in.  :)
Title: Re: Sandbox?
Post by: curiouscat on December 13, 2012, 12:24:39 PM
Although rendered image is not following IUPAC suggestions - it should be more compact.

What are IUPAC conventions on image rendering? I am curious. Do you have a link? I couldn't google anything up.
Title: Re: Sandbox?
Post by: Borek on December 13, 2012, 12:36:35 PM
http://www.iupac.org/publications/pac/80/2/0277/
Title: Re: Sandbox?
Post by: curiouscat on January 02, 2013, 03:55:58 AM
Was trying to throw Fullerenes at SMILES for fun but can't seem to make it work.  Any ideas?

Buckministerfullerene

Stealing the SMILES string off ChemSpider / Wikipedia:

Incidently shouldn't the molecule have 60 C entities since it's a C60?  Was surprised that the Wikipedia / Chemspider strings only went up to C11. What gives?

Even the smaller Dodecahedrane  doesn't seem to work.

PS. As an aside Annulene looks pretty

Though this might have been a better way to render it (also as per Borek's very nice IUPAC guidelines):

Title: Re: Sandbox?
Post by: Borek on January 02, 2013, 04:42:19 AM
All I can do is to forward these problems to the Indigo team (and be sure I will, although I know they are having a time off right now).

c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23

Incidently shouldn't the molecule have 60 C entities since it's a C60?  Was surprised that the Wikipedia / Chemspider strings only went up to C11. What gives?

To quote Daylight SMILES description:

Quote
If desired, digits denoting ring closures can be reused.

And apparently that's what is done here.

Quote

Though this might have been a better way to render it (also as per Borek's very nice IUPAC guidelines):

Forwarding to indigo team as well.
Title: Re: Sandbox?
Post by: curiouscat on January 02, 2013, 04:49:44 AM
All I can do is to forward these problems to the Indigo team (and be sure I will, although I know they are having a time off right now).

Sure. Thanks!

Just doing our lil' bit to make the Open Source Ecosystem a wee bit better, one bug report at a time. :)

Quote
If desired, digits denoting ring closures can be reused.

And apparently that's what is done here.

Of course. Makes sense. Thanks! Somehow I was expecting to see a C60 index; dumb in hindsight. Lost sight of what these indexes meant.
Title: Re: Sandbox?
Post by: curiouscat on January 22, 2013, 06:02:51 AM
You can PM yourself Tex to test it.

"You have exceeded the limit of 10 personal messages per hour."

Not a big deal at all, but just was funny how one can keep hitting the law of unintended consequences.  ;D

Who'd have thought of Dan's idea and then all because it took stupid me 10 attempts to get this SMILES right:

Was even funnier coz' Reply or Quote is the only way to get the SMILES in the past message sandbox attempts and SMF won't let me try that now. (Ha! If someone gets what I write! ).

Guess I'll be in the doghouse for an hour!  :P

PS. Is there a way to get R1 and R2 rendered in SMILES?

Title: Re: Sandbox?
Post by: Borek on January 22, 2013, 06:07:40 AM
Title: Re: Sandbox?
Post by: curiouscat on January 22, 2013, 06:13:50 AM

Ah! Thanks!  :-[

Looks a bit ugly here... ???
Title: Re: Sandbox?
Post by: Borek on January 22, 2013, 06:26:28 AM

Looks a bit ugly here... ???

Another thing to report, once I am sure it is something to report  :-\

Turned out problems with C60 are somewhere on our side - I was unlucky enough to hit two separate bugs on the forum and on my own computer, I assumed if it doesn't work here nor there it must be a problem with the SMILES renderer - but that's not the case.
Title: Re: Sandbox?
Post by: curiouscat on January 22, 2013, 06:29:40 AM

Another thing to report, once I am sure it is something to report  :-\

Turned out problems with C60 are somewhere on our side - I was unlucky enough to hit two separate bugs on the forum and on my own computer, I assumed if it doesn't work here nor there it must be a problem with the SMILES renderer - but that's not the case.

Did you have to do a lot of coding to integrate SMILES on "our side"? Wondering what "our side" bugs are like..
Title: Re: Sandbox?
Post by: Borek on January 22, 2013, 07:10:01 AM
Did you have to do a lot of coding to integrate SMILES on "our side"? Wondering what "our side" bugs are like..

Something like several hours to modify forum sources - including time needed to find out how the BBC tags are analyzed and where. But it took several days to compile the renderer, as we discussed in the past.

And I have no idea what the bug is - yet. Most likely % sign is treated incorrectly. Trick is, I don't pass it - I have modified the program so that what is passed is just a hexadecimal representation of the original SMILES (so 434F is passed instead of CO), this way I don't have to care about the data sanitization (assuming the renderer just ignores incorrect input; I bet it does).
Title: Re: Sandbox?
Post by: curiouscat on January 22, 2013, 07:11:53 AM
Did you have to do a lot of coding to integrate SMILES on "our side"? Wondering what "our side" bugs are like..

Something like several hours to modify forum sources - including time needed to find out how the BBC tags are analyzed and where. But it took several days to compile the renderer, as we discussed in the past.

And I have no idea what the bug is - yet. Most likely % sign is treated incorrectly. Trick is, I don't pass it - I have modified the program so that what is passed is just a hexadecimal representation of the original SMILES (so 434F is passed instead of CO), this way I don't have to care about the data sanitization (assuming the renderer just ignores incorrect input; I bet it does).

Wow, sounds crazy difficult. Somehow I was thinking it's a "plugin".  :P
Title: Re: Sandbox?
Post by: Borek on February 09, 2013, 08:57:39 AM
Was trying to throw Fullerenes at SMILES for fun but can't seem to make it work.  Any ideas?

Buckministerfullerene

Stealing the SMILES string off ChemSpider / Wikipedia:

Works now. Stupid bug.

Quote

Works, but I would not call it pretty  :o
Title: Re: Sandbox?
Post by: curiouscat on February 09, 2013, 10:26:15 AM
Cool!
Title: Re: Sandbox?
Post by: Dan on February 19, 2013, 06:12:57 AM
Ok, I think I found a bug:

Claims to be chiral, but is in fact a meso compound (achiral).

Same is true for the rendering of ribitol:

Same problem here:

Title: Re: Sandbox?
Post by: Borek on February 19, 2013, 06:42:31 AM
Title: Re: Sandbox?
Post by: sjb on February 19, 2013, 07:46:42 AM
In some way related to the fact you can't represent a racemic mixture, as at http://www.chemicalforums.com/index.php?topic=65809.msg236734#msg236734 ? Not sure....
Title: Re: Sandbox?
Post by: Borek on February 19, 2013, 07:51:13 AM
and

Hm, when chirality doesn't matter isn't it better to just show the molecule as

?

Title: Re: Sandbox?
Post by: sjb on February 19, 2013, 07:58:01 AM
Hm, when chirality doesn't matter isn't it better to just show the molecule as

?

Not really, in this case there are a cis pair and a trans pair of diasteromers.

Your compound also includes and to my mind.

Title: Re: Sandbox?
Post by: Borek on February 19, 2013, 08:55:24 AM
OK, I see what you mean - but I have no idea what you mean ;)

I mean - I see why the "flat" representation can be too wide (mean to many things), but I have no idea how the racemic mixture SHOULD be represented?
Title: Re: Sandbox?
Post by: sjb on February 19, 2013, 09:09:16 AM
In a previous life I worked indirectly with DAYLIGHT on a few things, a sample presentation (not by me, but by someone who was in effect my boss) is at http://www.daylight.com/meetings/emug04/Lock/index.html

The cases we are discussing are ~ slide 20-23

I seem to recall that in the GSK system (as referenced above) there were "chiral" and "racemic" flags you could put on the molecule when imported from ISIS draw (as was) which helped distinguish these cases. Not sure how it worked on the back-end though :(
Title: Re: Sandbox?
Post by: Dan on February 19, 2013, 10:24:33 AM
I have no idea how the racemic mixture SHOULD be represented?

I would draw one enantiomer and indicate that it is racemic with a (±) symbol underneath it.
Title: Re: Sandbox?
Post by: Dan on February 20, 2013, 01:47:49 PM
Another incorrect "chiral" flag today -but more obviously incorrect. It seems as though specifying configuration of even non-stereogenic centres fools it into assuming the molecule is chiral:

Title: Re: Sandbox?
Post by: billnotgatez on March 03, 2013, 05:37:45 PM
2(H-C≡C-H) + 5(O2)  :rarrow: 4(CO2) + 2(H2O)
or
2C2H2 + 5O2  :rarrow: 4CO2 + 2H2O

I wrote the above two formulas using the formatting available in the reply box

Question 1 - which one do you like
Question 2 - could I have used LATEX or SMILES

Title: Re: Sandbox?
Post by: Borek on March 03, 2013, 06:12:49 PM
Both are OK with me - it really depends on what you are trying to show. The latter is simpler, but if for some reason you want to stress out you are talking about alkyne - teh latter makes sense.

In this particular case I would not use neither SILES nor LaTeX. Call it a personal preference.
Title: Re: Sandbox?
Post by: billnotgatez on March 03, 2013, 06:20:27 PM
I am a dolt also an Adult
but
Do we have links to teaching
SMILES and LaTex handy
I think I am being common sensed challenged here, since I am not seeing any
Title: Re: Sandbox?
Post by: Borek on March 03, 2013, 06:47:37 PM
Title: Re: Sandbox?
Post by: billnotgatez on March 03, 2013, 07:55:00 PM
Did I miss any

SMILES at Daylight site
http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html
SMILES at wikipedia
http://en.wikipedia.org/wiki/SMILES
ChemSketch
LaTeX
http://en.wikibooks.org/wiki/LaTeX/Mathematics)

Title: Re: Sandbox?
Post by: curiouscat on March 03, 2013, 10:49:43 PM

In this particular case I would not use neither SILES nor LaTeX. Call it a personal preference.

+1 SMILES only becomes relevant above a certain minimum complexity of molecule. Usually, no one needs to be reminded how, say, ethane is structured internally.
Title: Re: Sandbox?
Post by: Borek on March 04, 2013, 04:04:18 AM
Did I miss any

SMILES at Daylight site
http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html
SMILES at wikipedia
http://en.wikipedia.org/wiki/SMILES
ChemSketch
LaTeX
http://en.wikibooks.org/wiki/LaTeX/Mathematics)

I believe it is a good starting collection, at least for the forum. There is much more to LaTeX, but most of it is of no use for us.
Title: Re: Sandbox?
Post by: billnotgatez on March 21, 2014, 07:37:43 AM
Just smiles testing some ketones

or

Just smiles testing some acids

or

Title: Re: Sandbox?
Post by: billnotgatez on April 26, 2014, 03:30:54 AM
Just playing with tex

$$\frac {(2)}{(4)} = \frac {(1)}{(2)}$$

$$\frac {(P_1 . V_1)}{(n_1 . T_1)} = \frac {(P_2 . V_2)}{(n_2 . T_2)}$$

Title: Re: Sandbox?
Post by: Xenonman on April 29, 2014, 10:37:18 PM
Zn(s) + 2 HCl(ac) :rarrow: H2 (g) + ZnCl2 (ac)

Zn+2(ac) + Y-4(ac)  :rarrow: [ZnY]-2(ac)

nZn+2=nY-4= 0.0011 mol

Don't mind me. Just me failing at making divisions in tex.
Yes, I wrote states as subscripts. That's the way it's done around here.
Title: Re: Sandbox?
Post by: Borek on April 30, 2014, 02:32:00 AM
Yes, I wrote states as subscripts. That's the way it's done around here.

There is no such thing as "here" here.

IUPAC rules are clear and they are defined to be used by everyone.
Title: Re: Sandbox?
Post by: curiouscat on April 30, 2014, 03:02:23 AM
Yes, I wrote states as subscripts. That's the way it's done around here.

Around here is where?
Title: Re: Sandbox?
Post by: curiouscat on April 30, 2014, 03:03:32 AM
IUPAC rules are clear and they are defined to be used by everyone.

Yes the rules are clear but how does one mandate everyone to use them? :)
Title: Re: Sandbox?
Post by: Borek on April 30, 2014, 04:59:25 AM
IUPAC rules are clear and they are defined to be used by everyone.

Yes the rules are clear but how does one mandate everyone to use them? :)

Technically you don't, but it is a matter of being clear and unambiguous. What is VO2+? IUPAC rules tell you how to write it in an unambiguous way, why not stick to them?
Title: Re: Sandbox?
Post by: curiouscat on April 30, 2014, 08:27:16 AM
Technically you don't, but it is a matter of being clear and unambiguous. What is VO2+? IUPAC rules tell you how to write it in an unambiguous way, why not stick to them?

Agreed.
Title: Re: Sandbox?
Post by: billnotgatez on April 30, 2014, 08:40:58 AM
(ac)
I did a quick GOOGLE and did not find this one
I have yet to peruse the IUPAC rules
Title: Re: Sandbox?
Post by: Borek on April 30, 2014, 09:15:06 AM
No such thing as (ac) as far as I am aware.

http://www.chemicalforums.com/index.php?topic=8373.msg38043#msg38043
Title: Re: Sandbox?
Post by: Xenonman on April 30, 2014, 10:01:44 AM
(ac) comes from "acuoso", aqueous in Spanish. I used it all over my Olympiad exams, without any penalization, because the entire exam was in Spanish.

Those zinc equations were for an assignment. In Spanish again.

I was taught to use (ac), as you can see. This is what every future Olympic will be taught, so I'll try to show this discrepancy, and an example of what happens when they use (ac) instead of (aq). I'll use (aq) as long as I don't forget when posting here, also.

Title: Re: Sandbox?
Post by: billnotgatez on May 03, 2014, 10:26:10 PM
Some more practice

Cobalt(II) oxide
WIKI

SPIDER

Cobalt(III) oxide
SPIDER

Cobalt(II,III) oxide
WIKI

SPIDER

Cobalt(II) carbonate
SPIDER

Title: Re: Sandbox?
Post by: billnotgatez on May 04, 2014, 05:26:43 AM
testing

Glycerol or Glycerin C3H8O3
WIKI

SPIDER
Title: Re: Sandbox?
Post by: Borek on May 04, 2014, 06:41:14 AM
Strange. Why C(C(CO)O)O when OCC(O)CO is much simpler? Perhaps wiki has some computer generated code.

Title: Re: Sandbox?
Post by: curiouscat on May 04, 2014, 08:59:28 AM
Strange. Why C(C(CO)O)O when OCC(O)CO is much simpler? Perhaps wiki has some computer generated code.

Yes indeed. That convoluted version is almost impossible to create by hand accidentally.
Title: Re: Sandbox?
Post by: billnotgatez on May 04, 2014, 09:22:35 AM
A side note
When I looked up the smiles for the Cobalt oxides WIKI was different than SPIDER
But they both had the same for the Glycerin (Glycerol)

Is there a source for "standard smiles" compounds?
Title: Re: Sandbox?
Post by: Borek on May 04, 2014, 02:50:01 PM
SMILES are good for organic compounds, with well defined structure (bonds between atoms). Most inorganic compounds are more ionic and don't have easily separated molecules, so they may have well defined crystal structure (ie respective positions of atoms in the crystal) but no typical "bonds" yielding structure similar to the one in organic molecules.

IOW: SMILES are a good equivalent of stick and ball models, but not so good for infinite crystals.
Title: Re: Sandbox?
Post by: billnotgatez on May 04, 2014, 10:25:10 PM
Quote
IOW: SMILES are a good equivalent of stick and ball models, but not so good for infinite crystals.
Somewhere deep in my cranial cavity a light bulb is starting to illuminate.
Title: Re: Sandbox?
Post by: Xenonman on May 13, 2014, 05:39:34 PM

<- naphthalene attempt  #1
;D

What's with that carbon charge? o-o
Title: Re: Sandbox?
Post by: curiouscat on May 13, 2014, 11:08:57 PM
What's with that carbon charge? o-o

You wanted Sodium acetylide?

Title: Re: Sandbox?
Post by: Borek on May 14, 2014, 02:36:20 AM
Still, these charges look off. Must be some indigo quirk.
Title: Re: Sandbox?
Post by: billnotgatez on May 27, 2014, 05:45:54 AM
This is an image test\\

I used
Title: Re: Sandbox?
Post by: billnotgatez on May 27, 2014, 06:04:40 AM
This is an text test\\

I used
Title: Re: Sandbox?
Post by: Xenonman on May 27, 2014, 08:22:17 PM

I can't believe it actually worked o.o
Title: Re: Sandbox?
Post by: billnotgatez on July 16, 2014, 06:19:36 AM
can we do InChI here
Title: Re: Sandbox?
Post by: billnotgatez on August 20, 2014, 01:35:51 AM

Title: Re: Sandbox?
Post by: curiouscat on August 20, 2014, 02:41:40 AM

Just idly wondering whether it will bend or scroll  >:D

Title: Re: Sandbox?
Post by: curiouscat on August 20, 2014, 02:43:11 AM

Title: Re: Sandbox?
Post by: curiouscat on August 20, 2014, 02:44:18 AM
This is fun..

Title: Re: Sandbox?
Post by: Dan on January 04, 2015, 10:41:42 AM
I can't have Li in smiles because the forum automatically converts [ Li ] (without spaces) to [list][li].

Any solution to this problem? [/list]
Title: Re: Sandbox?
Post by: curiouscat on January 04, 2015, 10:53:20 AM
I can't have Li in smiles because the forum automatically converts [ Li ] (without spaces) to [list][li].

Any solution to this problem? [/list]

I thought   [nobbc]  [/nobbc]  tags solved this. At least for Latex. But can't get it to work just now. Headscratch.
Title: Re: Sandbox?
Post by: Borek on January 04, 2015, 04:03:58 PM
Definitely a bug in the SMF engine, it ignores noparse (and nobbc) tags. I will see what can be done, but it requires digging in the SMF code.
Title: Re: Sandbox?
Post by: billnotgatez on July 06, 2015, 02:42:47 AM

URUSHIOL (15:3) CAS: 83543-37-7 Formula:C21 H30 O2 MolWeight:314.466
http://www.chemcd.com/product/CCD02755975.html

Title: Re: Sandbox?
Post by: curiouscat on July 06, 2015, 07:56:11 AM

URUSHIOL (15:3) CAS: 83543-37-7 Formula:C21 H30 O2 MolWeight:314.466
http://www.chemcd.com/product/CCD02755975.html

Wonder how nature synthesizes these molecules. What pathways I mean.
Title: Re: Sandbox?
Post by: billnotgatez on July 07, 2015, 03:26:51 AM
@curiouscat
Quote
Wonder how nature synthesizes these molecules. What pathways I mean.
I would be itching to find out as well (pun intended)  >:D

more testing

Toluene
https://en.wikipedia.org/wiki/Toluene
Title: Re: Sandbox?
Post by: sjb on July 07, 2015, 04:05:23 AM
Something like the fatty acid pathway, coupled with a tyrosine deanimase and hydroxylase, perhaps?
Title: Re: Sandbox?
Post by: billnotgatez on July 18, 2015, 06:44:18 AM
Poly(methyl methacrylate)
(C5O2H8)n

https://en.wikipedia.org/wiki/Poly(methyl_methacrylate)

I copied the smiles from WIKI
How do you do the n in smiles?
Why is there a dot next to the C

More playing
Eugenol
C10H12O2

https://en.wikipedia.org/wiki/Eugenol
Title: Re: Sandbox?
Post by: billnotgatez on August 06, 2015, 01:29:20 PM
I noticed in  the previous post that the link I posted leaves off the last parenthesis
so I am playing to see why

https://en.wikipedia.org/wiki/Poly(methyl_methacrylate) (https://en.wikipedia.org/wiki/Poly(methyl_methacrylate))

I noticed I had to use the insert hyperlink function to get the required result

It seems that just a copy paste does not always work for links
I think I noticed this before but probably did not remember and I do not remember  why this is caused

Title: Re: Sandbox?
Post by: Borek on August 06, 2015, 05:13:51 PM
Closing parenthesis is a known source of problems in links, especially in older software. Best approach is to use url tags.
Title: Re: Sandbox?
Post by: billnotgatez on November 01, 2015, 11:25:01 PM
Oleic acid
CAS Registry Number 112-80-1
Chemical formula C18H34O2
Molar mass 282.47 g·mol−1

formula CH3(CH2)7CH=CH(CH2)7COOH

https://en.wikipedia.org/wiki/Oleic_acid (https://en.wikipedia.org/wiki/Oleic_acid)

Title: Re: Sandbox?
Post by: swintarka on December 06, 2015, 11:56:33 AM
Title: Re: Sandbox?
Post by: billnotgatez on December 12, 2015, 02:44:55 AM
Acetaldehyde
CH3CHO

Acetonitrile
CH3CN
Title: Re: Sandbox?
Post by: Doc.AElstein on January 04, 2016, 09:02:44 AM
Hi
Just practicing png’s. No Reply needed.

Thanks
Alan
( ThingsList ) ( Using PhotoBucket )

IMG
(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2FThingsListTransposedSimplified_zps7daaxnag.jpg&hash=8e90b768f3d86042d3b41ce823f8431e) (http://s1065.photobucket.com/user/DocAElstein/media/ThingsListTransposedSimplified_zps7daaxnag.jpg.html)

.
Things table

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2FThingsTable1_zpsjtoml1hr.jpg&hash=2cbe09c7e2487572511c542434ef72f5) (http://s1065.photobucket.com/user/DocAElstein/media/ThingsTable1_zpsjtoml1hr.jpg.html)

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2FThingsTable2_zpsqrvhcpxm.jpg&hash=b9824e58ccd7572bb0045dbd86d7a0e5) (http://s1065.photobucket.com/user/DocAElstein/media/ThingsTable2_zpsqrvhcpxm.jpg.html)

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2FThingsTable3_zpsfsnhvyy1.jpg&hash=9f7284294cb13d930fe1eef52b7714c5) (http://s1065.photobucket.com/user/DocAElstein/media/ThingsTable3_zpsfsnhvyy1.jpg.html)

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2FThingsTable4_zps5158wn8b.jpg&hash=8a920be60b16beb0c26d03010a40e558) (http://s1065.photobucket.com/user/DocAElstein/media/ThingsTable4_zps5158wn8b.jpg.html)

……………………………………………..

Pro 2016-01-04

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2FPro2016_zpssprs0bqx.jpg&hash=f7bd7892c8fa08023cc53c4c6bdc5385) (http://s1065.photobucket.com/user/DocAElstein/media/Pro2016_zpssprs0bqx.jpg.html)

Try a Forum attatchment::-
http://www.chemicalforums.com/index.php?topic=69802.msg251351#msg251351

Title: Re: Sandbox?
Post by: Doc.AElstein on January 07, 2016, 09:57:43 AM
Hi

Thanks

Alan Elston

Box File Sharing first...

https://app.box.com/s/f7if1ry5i8tcgq3yq96lwljn23bnvnla

_ ...

Then try the
( as per http://www.chemicalforums.com/index.php?topic=69802.msg251351#msg251351 )

Title: Re: Sandbox?
Post by: billnotgatez on January 13, 2016, 09:55:28 PM
p-Phenylenediamine
C6H4(NH2)2

https://en.wikipedia.org/wiki/P-Phenylenediamine

m-Phenylenediamine
C6H4(NH2)2

https://en.wikipedia.org/wiki/M-Phenylenediamine

o-Phenylenediamine
C6H4(NH2)2

https://en.wikipedia.org/wiki/O-Phenylenediamine

Indophenol
C12H9NO2 or OC6H4NC6H4OH

https://en.wikipedia.org/wiki/Indophenol

Title: Re: Sandbox?
Post by: Doc.AElstein on January 14, 2016, 07:07:35 PM
Lutein, zeaxanthin --- carotenoids in large List of "Things" ( Excel File Screenshot thereof )

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2Fcarotenoids_zpsv73equ0r.jpg&hash=0a531e133ef17dcb7ef1f14037dbfedf) (http://s1065.photobucket.com/user/DocAElstein/media/carotenoids_zpsv73equ0r.jpg.html)

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2Fcarotenoids2_zpskvfxanii.jpg&hash=1d298754c7f812dd9e24c40856576202) (http://s1065.photobucket.com/user/DocAElstein/media/carotenoids2_zpskvfxanii.jpg.html)

Title: Re: Sandbox?
Post by: Doc.AElstein on January 14, 2016, 08:36:32 PM
beta-alanin Listing..( Excel Spreadsheet screeenshot thereof )

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2Fbeta-alanin_zpsbgbzpowf.jpg&hash=be24d1d467d032d48535be03ae2340e7) (http://s1065.photobucket.com/user/DocAElstein/media/beta-alanin_zpsbgbzpowf.jpg.html)

(https://www.chemicalforums.com/proxy.php?request=http%3A%2F%2Fi1065.photobucket.com%2Falbums%2Fu400%2FDocAElstein%2Fbeta-alanin2_zpsj3na91zs.jpg&hash=2cef199658d86e812a5802c498cfca8b) (http://s1065.photobucket.com/user/DocAElstein/media/beta-alanin2_zpsj3na91zs.jpg.html)

Title: Re: Sandbox?
Post by: billnotgatez on March 22, 2016, 10:01:50 AM
Neopentane or 2,2-dimethylpropane
C5H12
Title: Re: Sandbox?
Post by: Doc.AElstein on April 29, 2016, 01:32:40 PM
Just testing if i can insert tables here ( using BB Code )

 This came from clcking on an icon above

_....

This came from a BB Code Generator Code: that I have

Using Excel 2007
[Table="width:, class:grid"]
 This came from a BB Code Generting Code I have Working from Office Excel
[/size][Table="width:, class:grid"]
 Leith2

[color=lightgrey]Using Excel 2007[/color]
[size=1][Table="width:, class:grid"][table][tr][td]This came[/td][td]from a [/td][/tr]
[tr][td]BB Code[/td][td]Generting[/td][/tr]
[tr][td]Code I have[/td][td]Working from[/td][/tr]
[tr][td]Office[/td][td]Excel[/td][/tr]
[/table][/size][Table="width:, class:grid"][table][tr][td][b]Leith2[/b][/td][/tr][/table]

OK, need to chop some bits from the BB Code sting in the Code..

then...

Using Excel 2007
 This came from a BB Code Generting Code I have Working from Office Excel

Sucess !  :)

[color=lightgrey]Using Excel 2007[/color]
[size=1][table][tr][td]This came[/td][td]from a [/td][/tr]
[tr][td]BB Code[/td][td]Generting[/td][/tr]
[tr][td]Code I have[/td][td]Working from[/td][/tr]
[tr][td]Office[/td][td]Excel[/td][/tr]
[/table]

..

FYI. ... "no parse stuff! "

[noparse][color=lightgrey]Using Excel 2007[/color]
[size=1][table][tr][td]This came[/td][td]from a [/td][/tr]
[tr][td]BB Code[/td][td]Generting[/td][/tr]
[tr][td]Code I have[/td][td]Working from[/td][/tr]
[tr][td]Office[/td][td]Excel[/td][/tr]
[/table][/noparse]

Using Excel 2007
 This came BB Code

Using Excel 2007
 [td="bgcolor:#FFFF00"]This came [td="bgcolor:#FFC000"]BB Code

_..

copy from forum to word then back

Using Excel 2007
This came
BB CodeUsing

_..

copy from forum to Excel then copy back

Using Excel 2007
This came
BB Code

_....

Direct copy from Excel

This came   from a
BB Code   Generting
Code I have   Working from
Office   Excel

_....

Modified BB Code looks best
:)

Using Excel 2007
 This came from a Modified BB Code Generting Code I have Working from Office Excel
Title: Re: Sandbox?
Post by: Doc.AElstein on April 29, 2016, 05:46:10 PM

 Per 100g per 12.3g per 17.5g Kcal 350 59.5 43.05 Fat 0.3 0.051 0.0369 Protein 85 14.45 10.455 Carbohydrates 0.1 0.017 0.0123 Sugars 0.1 0.017 0.0123 Water 11 1.87 1.353 Total dietary fibre 0 0 0 Cholesterol 0 0 0 Mineral 1.7 0.289 0.2091 Vitamin B6 0.00001 0.0000017 0.00000123 Niacinequivalent 0.0001 0.000017 0.0000123 Sodium 0.06 0.0102 0.00738 Potassium 0.07 0.0119 0.00861 Magnesium 0.011 0.00187 0.001353 Copper 0.00005 0.0000085 0.00000615 Zinc 0.0002 0.000034 0.0000246 Chloride 0.1 0.017 0.0123 Fluoride 0.00003 0.0000051 0.00000369 Iodide 0.000006 0.00000102 7.38E-07 Manganese 0.00004 0.0000068 0.00000492 Sulphur 0.1 0.017 0.0123 Arginine 7.8 1.326 0.9594 Cystin 0 0 0 Histidine 0.64 0.1088 0.07872 Isoleucine 1.45 0.2465 0.17835 Leucine 3.6 0.612 0.4428 Lysine 3.95 0.6715 0.48585 Methionine 0.5 0.085 0.0615 Phenylalanine 2.1 0.357 0.2583 Threonine 1.9 0.323 0.2337 Tryptophane 0.003 0.00051 0.000369 Tyrosine 0.27 0.0459 0.03321 Valine 2.45 0.4165 0.30135 Alanine 10.5 1.785 1.2915 Aspartic acid 6.4 1.088 0.7872 Glutamic acid 10.5 1.785 1.2915 Glycine 23.9 4.063 2.9397 Proline 14.2 2.414 1.7466 Serine 3.65 0.6205 0.44895 essent. amino acids 22 3.74 2.706 nonessent. amino acids 63.8 10.846 7.8474
Title: Re: Sandbox?
Post by: Arkcon on May 01, 2016, 03:31:42 PM

Alum.  Hum. I don't know what I was expecting from an inorganic SMILES, but that just doesn't seem worth the trouble under any circumstances.

Title: Re: Sandbox?
Post by: billnotgatez on May 02, 2016, 05:51:52 PM
Urea
CO(NH2)2

https://en.wikipedia.org/wiki/Urea
Title: Re: Sandbox?
Post by: Doc.AElstein on May 04, 2016, 08:15:37 PM
Grey..  testing

This ...

Using Excel 2007
 Grey

came from this:

[color=lightgrey]Using Excel 2007[/color]
[table][tr][td]
[table][tr][td][table][tr][td][CENTER][COLOR=#A5A5A5]Grey[/COLOR][/CENTER][/td][/tr][/table][table][tr][td][CENTER][/CENTER][/td][/tr]
[/table]

[/td][/tr][/table][/td][/tr][/table]
Title: Re: Sandbox?
Post by: billnotgatez on May 10, 2016, 10:18:13 PM
Isopropyl alcohol or propan-2-ol or isopropanol
C3H8O or C3H7OH or CH3CHOHCH3 or i-PrOH or (CH3)2CHOH

https://en.wikipedia.org/wiki/Isopropyl_alcohol
---------------------------------------------------
acetone or propanone or propan-2-one
C3H6O or (CH3)2CO

https://en.wikipedia.org/wiki/Acetone
---------------------------------------------------

Title: Re: Sandbox?
Post by: billnotgatez on October 08, 2016, 01:42:50 PM
Image test

Title: Re: Sandbox?
Post by: sjb on November 03, 2016, 05:49:00 AM
Title: Re: Sandbox?
Post by: billnotgatez on November 24, 2016, 11:03:44 AM
Propylene glycol
propane-1,2-diol
C3H8O2
Molar mass 76.10 g/mol
Density 1.036 g/cm3
CAS Number 57-55-6

https://en.wikipedia.org/wiki/Propylene_glycol (https://en.wikipedia.org/wiki/Propylene_glycol)

Glycerol
glycerine or glycerin or 1,2,3-Propanetriol or 1,2,3-Trihydroxypropane
C3H8O3
Molar mass 92.09 g/mol
Density 1.261 g/cm3
CAS Number 56-81-5

https://en.wikipedia.org/wiki/Glycerol (https://en.wikipedia.org/wiki/Glycerol)

Ethanol
ethyl alcohol
C2H6O or CH3CH2OH or C2H5OH or EtOH
Molar mass 46.068 g/mol
Density 0.7893 g/cm3 (at 20 °C)
CAS Number 64-17-5

https://en.wikipedia.org/wiki/Ethanol (https://en.wikipedia.org/wiki/Ethanol)

Title: Re: Sandbox?
Post by: billnotgatez on January 31, 2017, 06:18:23 PM
Lawsone
https://en.wikipedia.org/wiki/Lawsone (https://en.wikipedia.org/wiki/Lawsone)
IUPAC name  2-Hydroxy-1,4-naphthoquinone
CAS Number 83-72-7
Chemical formula C10H6O3

Molar mass 174.15 g/mol

Citric acid
https://en.wikipedia.org/wiki/Citric_acid (https://en.wikipedia.org/wiki/Citric_acid)
Preferred IUPAC name  2-Hydroxypropane-1,2,3-tricarboxylic acid
CAS Number  77-92-9
Chemical formula  C6H8O7

Molar mass  192.12 g/mol

Title: Re: Sandbox?
Post by: billnotgatez on October 29, 2017, 09:26:44 PM
Preferred IUPAC name Benzoic acid
https://en.wikipedia.org/wiki/Benzoic_acid (https://en.wikipedia.org/wiki/Benzoic_acid)
Systematic IUPAC name Benzenecarboxylic acid
CAS Number 65-85-0
Chemical formula C7H6O2 or C6H5COOH

Molar mass 122.12 g/mol
Melting point 122.41 C (252.34 F; 395.56 K)
Title: Re: Sandbox?
Post by: Borek on November 07, 2017, 02:56:17 AM
Glucose.

Title: Re: Sandbox?
Post by: billnotgatez on March 18, 2018, 03:21:24 AM
Phytic acid
IUPAC name  (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
https://en.wikipedia.org/wiki/Phytic_acid
CAS Number 83-86-3
Chemical formula  C6H18O24P6

Molar mass 660.03 g/mol
Title: Re: Sandbox?
Post by: Elric82 on April 04, 2018, 06:00:35 PM
CaCl 2 + Na2CO3 :rarrow: CaCO3 + 2NaCl

Just a test on my message formatting

After all, that’s what this thread is for, isn’t it? I think this thread should be a sticky, but hey, I’m too knew around here to make such suggestions. Even though I’ve lurked here for a long time. Just a thought.
Title: Re: Sandbox?
Post by: Borek on April 04, 2018, 06:12:36 PM
I think this thread should be a sticky

Good idea.
Title: Re: Sandbox?
Post by: sjb on April 05, 2018, 05:17:34 AM
Good idea.

I thought it was at one stage, maybe things were broken on an update.
Title: Re: Sandbox?
Post by: Borek on April 05, 2018, 06:46:07 AM
I thought it was at one stage, maybe things were broken on an update.

Or someone (could be me) unstickied it accidentally at some point.
Title: Re: Sandbox?
Post by: billnotgatez on July 23, 2018, 01:52:04 PM
Clausius–Clapeyron relation (https://en.wikipedia.org/wiki/Clausius%E2%80%93Clapeyron_relation)

the above was create using url rather than zrl below

[zrl=https://en.wikipedia.org/wiki/Clausius%E2%80%93Clapeyron_relation]Clausius–Clapeyron relation[/zrl]
Title: Re: Sandbox?
Post by: billnotgatez on July 29, 2018, 02:56:57 PM
testing size=8pt

Mass Relationships of Simple Compounds of Nitrogen and Oxygen

Compound Total Mass (g) Mass of Nitrogen (g) Mass of Oxygen (g)

Oxide A     3.28                             1.00                             2.28
Oxide B     2.14                             1.00                             1.14
Oxide C     1.57                             1.00                             0.57

Possible Molecular Formulae for Nitrogen Oxides
Assuming that:

Oxide C is NO            Oxide B is NO              Oxide A is NO

Oxide A is                 NO4                     NO2                              NO
Oxide B is                 NO2                     NO                                N2O
Oxide C is                 NO                       N2O                              N4O

Title: Re: Sandbox?
Post by: billnotgatez on September 09, 2018, 12:52:09 PM
Borax