bis(2-methylpropyl) (1S,2R,3S,4S)-2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: bis(2-methylpropyl) (1S,2R,3S,4S)-2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisobutyl (1S,2R,3S,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3S,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) (1S,2R,3S,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3S,4S)-2-(4-tert-butylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diisobutyl ester Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)COC(=O)[C@H]1[C@@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C27H40O6/c1-16(2)14-32-24(29)22-20(28)13-27(8,31)23(25(30)33-15-17(3)4)21(22)18-9-11-19(12-10-18)26(5,6)7/h9-12,16-17,21-23,31H,13-15H2,1-8H3/t21-,22+,23+,27-/m0/s1