(3-nitro-3-phenyl-propyl) benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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