4-methyl-2-(3-nitrophenyl)benzenesulfonate

Systemtic Name: 4-methyl-2-(3-nitrophenyl)benzenesulfonate Openeye Name: 4-methyl-2-(3-nitrophenyl)benzenesulfonate CAS Name: 4-methyl-2-(3-nitrophenyl)benzenesulfonate IUPAC Name: 4-methyl-2-(3-nitrophenyl)benzenesulfonate Traditional Name: 4-methyl-2-(3-nitrophenyl)besylate Formula: C13H10NO5S- MolecularWeight: 292.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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