[2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethylpropanoate Openeye Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(3,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-13-8-9-15(10-14(13)2)18-16(22)11-21(6,7)12-17(18)24-19(23)20(3,4)5/h8-10H,11-12H2,1-7H3