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

Systemtic Name: [2-[3,5-bis(chloranyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octanoate Openeye Name: [2-(3,5-dichlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] octanoate CAS Name: octanoic acid [2-(3,5-dichlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3,5-dichlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] octanoate Traditional Name: caprylic acid [2-(3,5-dichlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H28Cl2O3 MolecularWeight: 411.36192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28Cl2O3/c1-4-5-6-7-8-9-20(26)27-19-14-22(2,3)13-18(25)21(19)15-10-16(23)12-17(24)11-15/h10-12H,4-9,13-14H2,1-3H3