(2-methylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-methylphenyl) 4-nitrobenzenesulfonate Openeye Name: o-tolyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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