(4-methylphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (4-methylphenyl) 3-nitrobenzenesulfonate Openeye Name: p-tolyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid p-tolyl ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5S/c1-10-5-7-12(8-6-10)19-20(17,18)13-4-2-3-11(9-13)14(15)16/h2-9H,1H3