(3-nitrophenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (3-nitrophenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (3-nitrophenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (3-nitrophenyl) ester Formula: C13H11NO7S2 MolecularWeight: 357.35894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO7S2/c1-22(17,18)12-5-7-13(8-6-12)23(19,20)21-11-4-2-3-10(9-11)14(15)16/h2-9H,1H3