sodium 4-chloranyl-3-methyl-benzenesulfonate

Systemtic Name: sodium 4-chloranyl-3-methyl-benzenesulfonate Openeye Name: sodium 4-chloro-3-methyl-benzenesulfonate CAS Name: sodium 4-chloro-3-methylbenzenesulfonate IUPAC Name: sodium 4-chloro-3-methylbenzenesulfonate Traditional Name: sodium 4-chloro-3-methyl-besylate Formula: C7H6ClNaO3S MolecularWeight: 228.62851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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