sodium 5-chloranyl-4-methyl-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 5-chloranyl-4-methyl-2-oxidanyl-benzenesulfonate Openeye Name: sodium 5-chloro-2-hydroxy-4-methyl-benzenesulfonate CAS Name: sodium 5-chloro-2-hydroxy-4-methylbenzenesulfonate IUPAC Name: sodium 5-chloro-2-hydroxy-4-methylbenzenesulfonate Traditional Name: sodium 5-chloro-2-hydroxy-4-methyl-besylate Formula: C7H6ClNaO4S MolecularWeight: 244.62791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C7H7ClO4S.Na/c1-4-2-6(9)7(3-5(4)8)13(10,11)12;/h2-3,9H,1H3,(H,10,11,12);/q;+1/p-1