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

Systemtic Name: bis(2-methylpropyl) (1R,2S,3R,4R)-2-(4-ethylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisobutyl (1R,2S,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2S,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) (1R,2S,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2S,3R,4R)-2-(4-ethylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diisobutyl ester Formula: C25H36O6 MolecularWeight: 432.54974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC(C)C)(C)O)C(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C[C@@]([C@@H]2C(=O)OCC(C)C)(C)O)C(=O)OCC(C)C

InChI

InChI=1S/C25H36O6/c1-7-17-8-10-18(11-9-17)20-21(23(27)30-13-15(2)3)19(26)12-25(6,29)22(20)24(28)31-14-16(4)5/h8-11,15-16,20-22,29H,7,12-14H2,1-6H3/t20-,21+,22+,25-/m1/s1