[(1R,2S,3S,4R)-2,3,4-tris(oxidanyl)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,3S,4R)-2,3,4-tris(oxidanyl)cyclohexyl] benzoate Openeye Name: [(1R,2S,3S,4R)-2,3,4-trihydroxycyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,3S,4R)-2,3,4-trihydroxycyclohexyl] ester IUPAC Name: [(1R,2S,3S,4R)-2,3,4-trihydroxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3S,4R)-2,3,4-trihydroxycyclohexyl] ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1O)O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[C@H]([C@H]([C@H]([C@@H]1O)O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O5/c14-9-6-7-10(12(16)11(9)15)18-13(17)8-4-2-1-3-5-8/h1-5,9-12,14-16H,6-7H2/t9-,10-,11+,12-/m1/s1