ethyl (6E,10Z,14E)-10-cyano-2,6,14-trimethyl-3-oxidanylidene-icosa-6,10,14,19-tetraenoate

Systemtic Name: ethyl (6E,10Z,14E)-10-cyano-2,6,14-trimethyl-3-oxidanylidene-icosa-6,10,14,19-tetraenoate Openeye Name: ethyl (6E,10Z,14E)-10-cyano-2,6,14-trimethyl-3-oxo-icosa-6,10,14,19-tetraenoate CAS Name: (6E,10Z,14E)-10-cyano-2,6,14-trimethyl-3-oxoeicosa-6,10,14,19-tetraenoic acid ethyl ester IUPAC Name: ethyl (6E,10Z,14E)-10-cyano-2,6,14-trimethyl-3-oxoicosa-6,10,14,19-tetraenoate Traditional Name: (6E,10Z,14E)-10-cyano-3-keto-2,6,14-trimethyl-eicosa-6,10,14,19-tetraenoic acid ethyl ester Formula: C26H39NO3 MolecularWeight: 413.59276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO3/c1-6-8-9-10-13-21(3)14-11-16-24(20-27)17-12-15-22(4)18-19-25(28)23(5)26(29)30-7-2/h6,13,15-16,23H,1,7-12,14,17-19H2,2-5H3/b21-13+,22-15+,24-16-