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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=C(CC(CC2=O)(C)C)OC(=O)C(C)(C)C)Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=C(CC(CC2=O)(C)C)OC(=O)C(C)(C)C)Cl)OC

InChI

InChI=1S/C21H27ClO4/c1-12-8-13(9-14(22)18(12)25-7)17-15(23)10-21(5,6)11-16(17)26-19(24)20(2,3)4/h8-9H,10-11H2,1-7H3