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

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 2-ethylbutanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolyl)cyclohexen-1-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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-ethylbutanoate Traditional Name: 2-ethylbutyric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-6-15(7-2)20(23)24-18-13-21(4,5)12-17(22)19(18)16-10-8-14(3)9-11-16/h8-11,15H,6-7,12-13H2,1-5H3