[(1R,2S)-2-oxidanyl-3-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1R,2S)-2-oxidanyl-3-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1R,2S)-2-hydroxy-3-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S)-2-hydroxy-3-oxocyclohexyl] ester IUPAC Name: [(1R,2S)-2-hydroxy-3-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-hydroxy-3-keto-cyclohexyl] ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)C1)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[C@H]([C@@H](C(=O)C1)O)OC(=O)C2=CC=CC=C2

InChI

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