calcium 3-methylbenzenesulfonate

Systemtic Name: calcium 3-methylbenzenesulfonate Openeye Name: calcium 3-methylbenzenesulfonate CAS Name: calcium 3-methylbenzenesulfonate IUPAC Name: calcium 3-methylbenzenesulfonate Traditional Name: calcium 3-methylbesylate Formula: C7H7CaO3S+ MolecularWeight: 211.27168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)[O-].[Ca+2]

InChI

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