(2-methylphenyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-methylphenyl) 2-nitrobenzenesulfonate Openeye Name: o-tolyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid o-tolyl ester Formula: C13H11NO5S MolecularWeight: 293.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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