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

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] hexanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolyl)cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [5,5-dimethyl-2-(4-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxocyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [3-keto-5,5-dimethyl-2-(p-tolyl)cyclohexen-1-yl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-5-6-7-8-19(23)24-18-14-21(3,4)13-17(22)20(18)16-11-9-15(2)10-12-16/h9-12H,5-8,13-14H2,1-4H3