propyl 3-(2-chlorophenyl)-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate

Systemtic Name: propyl 3-(2-chlorophenyl)-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate Openeye Name: propyl 3-(2-chlorophenyl)-3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)propanoate CAS Name: 3-(2-chlorophenyl)-3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)propanoic acid propyl ester IUPAC Name: propyl 3-(2-chlorophenyl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propanoate Traditional Name: 3-(2-chlorophenyl)-3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)propionic acid propyl ester Formula: C20H25ClO4 MolecularWeight: 364.8631

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C1=CC=CC=C1Cl)C2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CCCOC(=O)CC(C1=CC=CC=C1Cl)C2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C20H25ClO4/c1-4-9-25-18(24)10-14(13-7-5-6-8-15(13)21)19-16(22)11-20(2,3)12-17(19)23/h5-8,14,22H,4,9-12H2,1-3H3