[(1S,2S,3S)-2,3-bis(hydroxymethyl)cyclobutyl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S,2S,3S)-2,3-bis(hydroxymethyl)cyclobutyl] 4-nitrobenzenesulfonate Openeye Name: [(1S,2S,3S)-2,3-bis(hydroxymethyl)cyclobutyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,2S,3S)-2,3-bis(hydroxymethyl)cyclobutyl] ester IUPAC Name: [(1S,2S,3S)-2,3-bis(hydroxymethyl)cyclobutyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,2S,3S)-2,3-dimethylolcyclobutyl] ester Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CO)CO

Isomeric SMILES

C1[C@@H]([C@H]([C@H]1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CO)CO

InChI

InChI=1S/C12H15NO7S/c14-6-8-5-12(11(8)7-15)20-21(18,19)10-3-1-9(2-4-10)13(16)17/h1-4,8,11-12,14-15H,5-7H2/t8-,11-,12+/m1/s1