ethyl (6E,10Z)-10-cyano-2,6-dimethyl-3-oxidanylidene-hexadeca-6,10,15-trienoate

Systemtic Name: ethyl (6E,10Z)-10-cyano-2,6-dimethyl-3-oxidanylidene-hexadeca-6,10,15-trienoate Openeye Name: ethyl (6E,10Z)-10-cyano-2,6-dimethyl-3-oxo-hexadeca-6,10,15-trienoate CAS Name: (6E,10Z)-10-cyano-2,6-dimethyl-3-oxohexadeca-6,10,15-trienoic acid ethyl ester IUPAC Name: ethyl (6E,10Z)-10-cyano-2,6-dimethyl-3-oxohexadeca-6,10,15-trienoate Traditional Name: (6E,10Z)-10-cyano-3-keto-2,6-dimethyl-hexadeca-6,10,15-trienoic acid ethyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(=O)CCC(=CCCC(=CCCCC=C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-5-7-8-9-12-19(16-22)13-10-11-17(3)14-15-20(23)18(4)21(24)25-6-2/h5,11-12,18H,1,6-10,13-15H2,2-4H3/b17-11+,19-12-