calcium 2-methylbenzenesulfonate

Systemtic Name: calcium 2-methylbenzenesulfonate Openeye Name: calcium 2-methylbenzenesulfonate CAS Name: calcium 2-methylbenzenesulfonate IUPAC Name: calcium 2-methylbenzenesulfonate Traditional Name: calcium 2-methylbesylate Formula: C7H7CaO3S+ MolecularWeight: 211.27168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C7H8O3S.Ca/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+2/p-1