[(1R,2R)-2-oxidanyl-4-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1R,2R)-2-oxidanyl-4-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1R,2R)-2-hydroxy-4-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R)-2-hydroxy-4-oxocyclohexyl] ester IUPAC Name: [(1R,2R)-2-hydroxy-4-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R)-2-hydroxy-4-keto-cyclohexyl] ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C1CC(=O)C[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H14O4/c14-10-6-7-12(11(15)8-10)17-13(16)9-4-2-1-3-5-9/h1-5,11-12,15H,6-8H2/t11-,12-/m1/s1