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

Systemtic Name: methyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxidanylidene-dodeca-3,5,9-trienoate Openeye Name: methyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxo-dodeca-3,5,9-trienoate CAS Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,9-trienoic acid methyl ester IUPAC Name: methyl (2E,3E,5E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,9-trienoate Traditional Name: (2E,3E,5E,9E)-12-cyano-2-ethylidene-11-keto-4,10-dimethyl-dodeca-3,5,9-trienoic acid methyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-5-16(18(21)22-4)13-14(2)9-7-6-8-10-15(3)17(20)11-12-19/h5,7,9-10,13H,6,8,11H2,1-4H3/b9-7+,14-13+,15-10+,16-5+