[2-[2,6-bis(chloranyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexanoate

Systemtic Name: [2-[2,6-bis(chloranyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexanoate Openeye Name: [2-(2,6-dichlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [2-(2,6-dichlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,6-dichlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [2-(2,6-dichlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C20H24Cl2O3 MolecularWeight: 383.30876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C20H24Cl2O3/c1-4-5-6-10-17(24)25-16-12-20(2,3)11-15(23)19(16)18-13(21)8-7-9-14(18)22/h7-9H,4-6,10-12H2,1-3H3