methyl 3-[(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-oxidanyl-cyclobutyl]benzoate

Systemtic Name: methyl 3-[(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-oxidanyl-cyclobutyl]benzoate Openeye Name: methyl 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzoate CAS Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzoate Traditional Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-dimethylol-cyclobutyl]benzoic acid methyl ester Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C2(CC(C2CO)CO)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)[C@@]2(C[C@@H]([C@H]2CO)CO)O

InChI

InChI=1S/C14H18O5/c1-19-13(17)9-3-2-4-11(5-9)14(18)6-10(7-15)12(14)8-16/h2-5,10,12,15-16,18H,6-8H2,1H3/t10-,12-,14-/m1/s1