[5,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] octanoate

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] octanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolyl)cyclohexen-1-yl] octanoate CAS Name: octanoic acid [5,5-dimethyl-2-(4-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxocyclohexen-1-yl] octanoate Traditional Name: caprylic acid [3-keto-5,5-dimethyl-2-(p-tolyl)cyclohexen-1-yl] ester Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H32O3/c1-5-6-7-8-9-10-21(25)26-20-16-23(3,4)15-19(24)22(20)18-13-11-17(2)12-14-18/h11-14H,5-10,15-16H2,1-4H3