3-chloranyl-4-methyl-benzenesulfonic acid; sodium

Systemtic Name: 3-chloranyl-4-methyl-benzenesulfonic acid; sodium Openeye Name: 3-chloro-4-methyl-benzenesulfonic acid; sodium CAS Name: 3-chloro-4-methylbenzenesulfonic acid; sodium IUPAC Name: 3-chloro-4-methylbenzenesulfonic acid; sodium Traditional Name: 3-chloro-4-methyl-besylic acid; sodium Formula: C7H7ClNaO3S MolecularWeight: 229.63645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)Cl.[Na]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)Cl.[Na]

InChI

InChI=1S/C7H7ClO3S.Na/c1-5-2-3-6(4-7(5)8)12(9,10)11;/h2-4H,1H3,(H,9,10,11);