2-nitro-3-[3-(phenylmethyl)phenyl]benzenesulfonic acid

Systemtic Name: 2-nitro-3-[3-(phenylmethyl)phenyl]benzenesulfonic acid Openeye Name: 3-(3-benzylphenyl)-2-nitro-benzenesulfonic acid CAS Name: 2-nitro-3-[3-(phenylmethyl)phenyl]benzenesulfonic acid IUPAC Name: 3-(3-benzylphenyl)-2-nitrobenzenesulfonic acid Traditional Name: 3-(3-benzylphenyl)-2-nitro-besylic acid Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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