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

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethyloctanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolyl)cyclohexen-1-yl] 2,2-dimethyloctanoate CAS Name: 2,2-dimethyloctanoic acid [5,5-dimethyl-2-(4-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxocyclohexen-1-yl] 2,2-dimethyloctanoate Traditional Name: 2,2-dimethylcaprylic acid [3-keto-5,5-dimethyl-2-(p-tolyl)cyclohexen-1-yl] ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O3/c1-7-8-9-10-15-25(5,6)23(27)28-21-17-24(3,4)16-20(26)22(21)19-13-11-18(2)12-14-19/h11-14H,7-10,15-17H2,1-6H3