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

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] hexadecanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolyl)cyclohexen-1-yl] hexadecanoate CAS Name: hexadecanoic acid [5,5-dimethyl-2-(4-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxocyclohexen-1-yl] hexadecanoate Traditional Name: palmitic acid [3-keto-5,5-dimethyl-2-(p-tolyl)cyclohexen-1-yl] ester Formula: C31H48O3 MolecularWeight: 468.71102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(33)34-28-24-31(3,4)23-27(32)30(28)26-21-19-25(2)20-22-26/h19-22H,5-18,23-24H2,1-4H3