3-[(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-oxidanyl-cyclobutyl]benzoic acid

Systemtic Name: 3-[(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-oxidanyl-cyclobutyl]benzoic acid Openeye Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzoic acid CAS Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzoic acid IUPAC Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzoic acid Traditional Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-dimethylol-cyclobutyl]benzoic acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1(C2=CC=CC(=C2)C(=O)O)O)CO)CO

Isomeric SMILES

C1[C@@H]([C@H]([C@@]1(C2=CC=CC(=C2)C(=O)O)O)CO)CO

InChI

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