UC0233
Name: alpha-cyano-4-hydroxycinnamic acidSMILES: Oc1ccc(/C=C(\C#N)C(O)=O)cc1
InChI=1/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+
posted by Khalid Mirza @ 9:10 AM
1 comments
usefulchem-molecules
Database of molecules pertinent to Useful Chemistry Project. One molecule per post. Use automation to process whenever possible. We are happy to share compounds that we can spare, as long as their use is reported openly (included failed experiments). NOTE: ANYTHING POSTED HERE IS MADE PUBLIC IMMEDIATELY AND DONATED TO THE PUBLIC DOMAIN . ANYONE MAY USE, EVEN FOR COMMERCIAL PURPOSES, AS LONG AS ATTRIBUTION IS MADE TO THE RELEVANT POSTS IN THIS BLOG.
Monday, April 09, 2007
Name: alpha-cyano-4-hydroxycinnamic acidSMILES: Oc1ccc(/C=C(\C#N)C(O)=O)cc1
InChI=1/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+
1 Comments:
If you intend the stereochemical configuration drawn, as I infer from the isomeric Smiles, you may want to include a stereochemical descriptor in the chemical name. "Cinnamic acid" is stereochemically ambiguous to some, and with the cyano group added, the ambiguity likely grows.
Another name of possible value in checking Chemical Abstracts under 2-Propenoic acid is: (2E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoic acid.
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