[2-(4-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] octanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)CCC1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)CCC1)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O3/c1-3-4-5-6-7-11-20(23)24-19-10-8-9-18(22)21(19)17-14-12-16(2)13-15-17/h12-15H,3-11H2,1-2H3