[2-(4-chloranyl-3-methoxy-phenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexanoate

Systemtic Name: [2-(4-chloranyl-3-methoxy-phenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexanoate Openeye Name: [2-(4-chloro-3-methoxy-phenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [2-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [2-(4-chloro-3-methoxy-phenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H27ClO4 MolecularWeight: 378.88968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=C(C=C2)Cl)OC

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=C(C=C2)Cl)OC

InChI

InChI=1S/C21H27ClO4/c1-5-6-7-8-19(24)26-18-13-21(2,3)12-16(23)20(18)14-9-10-15(22)17(11-14)25-4/h9-11H,5-8,12-13H2,1-4H3