(4-chlorophenyl) 3-nitrobenzenesulfonate

Systemtic Name: (4-chlorophenyl) 3-nitrobenzenesulfonate Openeye Name: (4-chlorophenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (4-chlorophenyl) ester Formula: C12H8ClNO5S MolecularWeight: 313.71362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClNO5S/c13-9-4-6-11(7-5-9)19-20(17,18)12-3-1-2-10(8-12)14(15)16/h1-8H