sodium 2-methyl-6-methylsulfanyl-benzenesulfonate

Systemtic Name: sodium 2-methyl-6-methylsulfanyl-benzenesulfonate Openeye Name: sodium 2-methyl-6-methylsulfanyl-benzenesulfonate CAS Name: sodium 2-methyl-6-(methylthio)benzenesulfonate IUPAC Name: sodium 2-methyl-6-methylsulfanylbenzenesulfonate Traditional Name: sodium 2-methyl-6-(methylthio)besylate Formula: C8H9NaO3S2 MolecularWeight: 240.27503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S2.Na/c1-6-4-3-5-7(12-2)8(6)13(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1