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

Systemtic Name: 3-[(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-oxidanyl-cyclobutyl]benzenecarbonitrile Openeye Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzonitrile CAS Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzonitrile IUPAC Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzonitrile Traditional Name: 3-[(1S,2S,3S)-1-hydroxy-2,3-dimethylol-cyclobutyl]benzonitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c14-6-9-2-1-3-11(4-9)13(17)5-10(7-15)12(13)8-16/h1-4,10,12,15-17H,5,7-8H2/t10-,12-,13-/m1/s1