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To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

carbon monoxide
InChI=1/CO/c1-2
InChIKey=UGFAIRIUMAVXCW-UHFFFAOYAT
PubChem: 281
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Posts

Remember the nitro group? Let us consider even simpler case of carbon monoxide. Almost invariably, the chemical databases represent CO as a charge-separated molecule (a) even though it would be as correct to draw it with triple bond and two lone pairs (b)....
chloroform
InChI=1/CHCl3/c2-1(3)4/h1H
InChIKey=HEDRZPFGACZZDS-UHFFFAOYAG
PubChem: 6212
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Like it's acyclic cousin, cyclopropane is a colourless gas with a notable smell and taste that is both inflammable and potentially explosive and typically stored in metal cylinders as a liquid under pressure.Cyclopropane is the simplest possible cyclic hydrocarbon,...
My life as a postdoc is almost up, and so this blog will soon be reaching some sort of conclusion. Still, there’s some time to write a post or two that I’ve been meaning to write for a while.In my field, if you want to make progress, you end up...
Like it's acyclic cousin, cyclopropane is a colourless gas with a notable smell and taste that is both inflammable and potentially explosive and typically stored in metal cylinders as a liquid under pressure.Cyclopropane is the simplest possible cyclic hydrocarbon,...
lipitor
InChI=1/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1/f/h35,39H
InChIKey=XUKUURHRXDUEBC-WPPSOWBEDM
PubChem: 60823
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Posts

Freakonomics, a book cowritten by the U Chicago economist Steve Levitt, is a treatise on the economics of ethics. I am in the school of belief that morality and ethics are separate but not mutually exclusive sets of… er…. lifestyle choices. Ethics,...
Reflect . small molecule . String Stitch .European Molecular Biology Laboratory Elsevier Grand Challenge 1 $35,000 . ...Reflect . . About . . . Reflect . . Preference organism . .Reflect firefox Wikipedia Lipitor reflect . ( ) . , . . Reflect . . . . -- 2.0...
artemisinin
InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
InChIKey=BLUAFEHZUWYNDE-JMZKZHPFBX
PubChem: 68827
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Posts

The BBC reports today that malaria has started to evolve resistance to the artemesinin family of drugs that are used as the world’s front-line defense against the most prevalent and deadly form of the disease.Artemesinin emerged from a Chinese herbal...
The BBC reports today that malaria has started to evolve resistance to the artemesinin family of drugs that are used as the world’s front-line defense against the most prevalent and deadly form of the disease.Artemesinin emerged from a Chinese herbal...
artemisinin
InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
InChIKey=BLUAFEHZUWYNDE-JMZKZHPFBX
PubChem: 68827
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Posts

The BBC reports today that malaria has started to evolve resistance to the artemesinin family of drugs that are used as the world’s front-line defense against the most prevalent and deadly form of the disease.Artemesinin emerged from a Chinese herbal...
The BBC reports today that malaria has started to evolve resistance to the artemesinin family of drugs that are used as the world’s front-line defense against the most prevalent and deadly form of the disease.Artemesinin emerged from a Chinese herbal...
egcg
InChI=1/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
InChIKey=WMBWREPUVVBILR-WIYYLYMNBM
PubChem: 65064
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Posts

The health benefits of green tea, from alertness-boosting antioxidants to aiding slimming and defying aging, are persistently splashed across the TV and the web. Now, according to a seminal study from German researchers, those wonderful polyphenols could also...
2-hydroxy-1,4-naphthoquinone#cite note-2
InChI=1/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H
InChIKey=WVCHIGAIXREVNS-UHFFFAOYAN
PubChem: 6755
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aromatic amine dye present in most hair dyesadded to henna paste to create "black henna", which is intended to make henna tattoos appear darker in order to create the classic black ink tattoo lookhenna (Lawsonia alba/inermis) is a flowering plant that contains...
Last year, while visiting family in Germany, I decided to pick some walnuts to bring home to Norway. They were not ripe, which was good, because I was planning to make nocino, a walnut liqueur. You can easily find a number of recipes by googling and there is...
norbornene
InChI=1/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
InChIKey=JFNLZVQOOSMTJK-UHFFFAOYAB
PubChem: 10352
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My husband works in what I consider to be the materials side of chemistry (he is currently the only chemist in a group of physicists), so even though I am an organic chemist at heart, I really enjoy reading about new developments in nanotechnology. Yesterday...
Carbon disulfide, or CS2 (or commonly in my lab, “what the hell is that smell”) is a low-boiling organic solvent. Structurally, it looks just like carbon dioxide but with sulfur instead of oxygen. It’s used most often for Friedel-Crafts and...
ferrocene
InChI=1/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;

PubChem: 11985121
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Ferrocene was discovered in 1951 and we still do not know the proper way to draw it. CrossFire example recommends to connect every carbon atom of the ring to the central metal atom. Which is fair enough and will be a valid query for CrossFire Gmelin database....
Rich Apodaca has asked me to show how CML can deal with metallocene compounds - and I’m happy to do this - it comes at a very good time. He points to Metallome blog and I’ll copy some of the material on ferrocene. I’ll show the post and then...
melamine
InChI=1/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/f/h4-6H2
InChIKey=JDSHMPZPIAZGSV-SANQDLDUCX
PubChem: 7955
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Next up in our survey of free chemistry databases and services on the Web is Common Chemistry from Chemical Abstracts Service (CAS). Common Chemistry is a recently-introduced database that contains naming information for about 7,800 commonly-used compounds...