(phenylmethyl) (1S,2R,6R)-6-(4-chlorophenyl)-2-oxidanyl-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) (1S,2R,6R)-6-(4-chlorophenyl)-2-oxidanyl-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate Openeye Name: benzyl (1S,2R,6R)-6-(4-chlorophenyl)-2-hydroxy-4-oxo-2-phenyl-cyclohexanecarboxylate CAS Name: (1S,2R,6R)-6-(4-chlorophenyl)-2-hydroxy-4-oxo-2-phenyl-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,2R,6R)-6-(4-chlorophenyl)-2-hydroxy-4-oxo-2-phenylcyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-6-(4-chlorophenyl)-2-hydroxy-4-keto-2-phenyl-cyclohexanecarboxylic acid benzyl ester Formula: C26H23ClO4 MolecularWeight: 434.91142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@H]([C@@H]([C@](CC1=O)(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClO4/c27-21-13-11-19(12-14-21)23-15-22(28)16-26(30,20-9-5-2-6-10-20)24(23)25(29)31-17-18-7-3-1-4-8-18/h1-14,23-24,30H,15-17H2/t23-,24+,26-/m0/s1