sodium 4-(3-methylphenyl)benzenesulfonate

Systemtic Name: sodium 4-(3-methylphenyl)benzenesulfonate Openeye Name: sodium 4-(m-tolyl)benzenesulfonate CAS Name: sodium 4-(3-methylphenyl)benzenesulfonate IUPAC Name: sodium 4-(3-methylphenyl)benzenesulfonate Traditional Name: sodium 4-(m-tolyl)besylate Formula: C13H11NaO3S MolecularWeight: 270.27941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3S.Na/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)17(14,15)16;/h2-9H,1H3,(H,14,15,16);/q;+1/p-1