3-methylbenzenesulfonic acid; sodium

Systemtic Name: 3-methylbenzenesulfonic acid; sodium Openeye Name: 3-methylbenzenesulfonic acid; sodium CAS Name: 3-methylbenzenesulfonic acid; sodium IUPAC Name: 3-methylbenzenesulfonic acid; sodium Traditional Name: 3-methylbesylic acid; sodium Formula: C7H8NaO3S MolecularWeight: 195.19139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)O.[Na]

InChI

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