(4-cyanophenyl) 3-nitrobenzenesulfinate

Systemtic Name: (4-cyanophenyl) 3-nitrobenzenesulfinate Openeye Name: (4-cyanophenyl) 3-nitrobenzenesulfinate CAS Name: 3-nitrobenzenesulfinic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-nitrobenzenesulfinate Traditional Name: 3-nitrobenzenesulfinic acid (4-cyanophenyl) ester Formula: C13H8N2O4S MolecularWeight: 288.27862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O4S/c14-9-10-4-6-12(7-5-10)19-20(18)13-3-1-2-11(8-13)15(16)17/h1-8H