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

Systemtic Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexanoate Openeye Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O3/c1-6-7-8-9-20(24)25-19-14-22(4,5)13-18(23)21(19)17-11-10-15(2)12-16(17)3/h10-12H,6-9,13-14H2,1-5H3