(4-methylsulfonylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-methylsulfonylphenyl) 4-nitrobenzenesulfonate Openeye Name: (4-methylsulfonylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-methylsulfonylphenyl) ester IUPAC Name: (4-methylsulfonylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-mesylphenyl) ester Formula: C13H11NO7S2 MolecularWeight: 357.35894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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