2-nitro-3-[4-(phenylmethyl)phenyl]benzenesulfonate

Systemtic Name: 2-nitro-3-[4-(phenylmethyl)phenyl]benzenesulfonate Openeye Name: 3-(4-benzylphenyl)-2-nitro-benzenesulfonate CAS Name: 2-nitro-3-[4-(phenylmethyl)phenyl]benzenesulfonate IUPAC Name: 3-(4-benzylphenyl)-2-nitrobenzenesulfonate Traditional Name: 3-(4-benzylphenyl)-2-nitro-besylate Formula: C19H14NO5S- MolecularWeight: 368.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C(=CC=C3)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C(=CC=C3)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15NO5S/c21-20(22)19-17(7-4-8-18(19)26(23,24)25)16-11-9-15(10-12-16)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24,25)/p-1