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

Systemtic Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [5,5-dimethyl-2-(o-tolyl)-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [5,5-dimethyl-2-(2-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [3-keto-5,5-dimethyl-2-(o-tolyl)cyclohexen-1-yl] ester Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=CC=C2C

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=CC=C2C

InChI

InChI=1S/C23H32O3/c1-6-8-12-17(7-2)22(25)26-20-15-23(4,5)14-19(24)21(20)18-13-10-9-11-16(18)3/h9-11,13,17H,6-8,12,14-15H2,1-5H3