dimethyl 2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: dimethyl 2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: 2-(4-tert-butylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC)O

Isomeric SMILES

CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC)O

InChI

InChI=1S/C21H28O6/c1-20(2,3)13-9-7-12(8-10-13)15-16(18(23)26-5)14(22)11-21(4,25)17(15)19(24)27-6/h7-10,15-17,25H,11H2,1-6H3