[(E,2S,4R,5S,8S,10S,12S)-4,6,8,10,12-pentamethyl-5-oxidanyl-3-oxidanylidene-pentadec-6-en-2-yl] benzoate

Systemtic Name: [(E,2S,4R,5S,8S,10S,12S)-4,6,8,10,12-pentamethyl-5-oxidanyl-3-oxidanylidene-pentadec-6-en-2-yl] benzoate Openeye Name: [(E,1S,3R,4S,7S,9S,11S)-4-hydroxy-1,3,5,7,9,11-hexamethyl-2-oxo-tetradec-5-enyl] benzoate CAS Name: benzoic acid [(E,2S,4R,5S,8S,10S,12S)-5-hydroxy-4,6,8,10,12-pentamethyl-3-oxopentadec-6-en-2-yl] ester IUPAC Name: [(E,2S,4R,5S,8S,10S,12S)-5-hydroxy-4,6,8,10,12-pentamethyl-3-oxopentadec-6-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S,3R,4S,7S,9S,11S)-4-hydroxy-2-keto-1,3,5,7,9,11-hexamethyl-tetradec-5-enyl] ester Formula: C27H42O4 MolecularWeight: 430.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(C)CC(C)C=C(C)C(C(C)C(=O)C(C)OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/[C@H]([C@@H](C)C(=O)[C@H](C)OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C27H42O4/c1-8-12-18(2)15-19(3)16-20(4)17-21(5)25(28)22(6)26(29)23(7)31-27(30)24-13-10-9-11-14-24/h9-11,13-14,17-20,22-23,25,28H,8,12,15-16H2,1-7H3/b21-17+/t18-,19-,20-,22+,23-,25+/m0/s1