(2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxidanylidene-dodeca-3,5,9-trienoic acid

Systemtic Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxidanylidene-dodeca-3,5,9-trienoic acid Openeye Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxo-dodeca-3,5,9-trienoic acid CAS Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,9-trienoic acid IUPAC Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,9-trienoic acid Traditional Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-11-keto-4,10-dimethyl-dodeca-3,5,9-trienoic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C=C(C)C=CCCC=C(C)C(=O)CC#N)C(=O)O

Isomeric SMILES

C/C=C(\C=C(/C)\C=C\CC/C=C(\C)/C(=O)CC#N)/C(=O)O

InChI

InChI=1S/C17H21NO3/c1-4-15(17(20)21)12-13(2)8-6-5-7-9-14(3)16(19)10-11-18/h4,6,8-9,12H,5,7,10H2,1-3H3,(H,20,21)/b8-6+,13-12+,14-9+,15-4+