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

Systemtic Name: bis(phenylmethyl) (1R,2S,3S,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-phenyl-cyclohexane-1,3-dicarboxylate Openeye Name: dibenzyl (1R,2S,3S,4S)-4-hydroxy-4-methyl-6-oxo-2-phenyl-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2S,3S,4S)-4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (1R,2S,3S,4S)-4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate Traditional Name: (1R,2S,3S,4S)-4-hydroxy-6-keto-4-methyl-2-phenyl-cyclohexane-1,3-dicarboxylic acid dibenzyl ester Formula: C29H28O6 MolecularWeight: 472.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

C[C@@]1(CC(=O)[C@@H]([C@H]([C@@H]1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H28O6/c1-29(33)17-23(30)25(27(31)34-18-20-11-5-2-6-12-20)24(22-15-9-4-10-16-22)26(29)28(32)35-19-21-13-7-3-8-14-21/h2-16,24-26,33H,17-19H2,1H3/t24-,25+,26-,29+/m1/s1