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

Systemtic Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexadecanoate Openeye Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] hexadecanoate CAS Name: hexadecanoic acid [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] hexadecanoate Traditional Name: palmitic acid [2-(3,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C32H50O3 MolecularWeight: 482.7376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)35-29-24-32(4,5)23-28(33)31(29)27-21-20-25(2)26(3)22-27/h20-22H,6-19,23-24H2,1-5H3