[(2S)-2-oxidanyl-2-phenyl-ethyl] 4-nitrobenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyl-2-phenyl-ethyl] 4-nitrobenzenesulfonate Openeye Name: [(2S)-2-hydroxy-2-phenyl-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2S)-2-hydroxy-2-phenylethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-phenylethyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2S)-2-hydroxy-2-phenyl-ethyl] ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13NO6S/c16-14(11-4-2-1-3-5-11)10-21-22(19,20)13-8-6-12(7-9-13)15(17)18/h1-9,14,16H,10H2/t14-/m1/s1