[(2R)-3-nitro-2-phenyl-propyl] benzenesulfonate

Systemtic Name: [(2R)-3-nitro-2-phenyl-propyl] benzenesulfonate Openeye Name: [(2R)-3-nitro-2-phenyl-propyl] benzenesulfonate CAS Name: benzenesulfonic acid [(2R)-3-nitro-2-phenylpropyl] ester IUPAC Name: [(2R)-3-nitro-2-phenylpropyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2R)-3-nitro-2-phenyl-propyl] ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c17-16(18)11-14(13-7-3-1-4-8-13)12-21-22(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2/t14-/m1/s1