[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] pentanoate

Systemtic Name: [5-methyl-2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] pentanoate Openeye Name: [5-methyl-3-oxo-2-(p-tolyl)cyclohexen-1-yl] pentanoate CAS Name: pentanoic acid [5-methyl-2-(4-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)-3-oxocyclohexen-1-yl] pentanoate Traditional Name: valeric acid [3-keto-5-methyl-2-(p-tolyl)cyclohexen-1-yl] ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3/c1-4-5-6-18(21)22-17-12-14(3)11-16(20)19(17)15-9-7-13(2)8-10-15/h7-10,14H,4-6,11-12H2,1-3H3