[2-(3,4-dichlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] heptanoate

Systemtic Name: [2-(3,4-dichlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] heptanoate Openeye Name: [2-(3,4-dichlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] heptanoate CAS Name: heptanoic acid [2-(3,4-dichlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] heptanoate Traditional Name: enanthic acid [2-(3,4-dichlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H26Cl2O3 MolecularWeight: 397.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H26Cl2O3/c1-4-5-6-7-8-19(25)26-18-13-21(2,3)12-17(24)20(18)14-9-10-15(22)16(23)11-14/h9-11H,4-8,12-13H2,1-3H3