sodium 2,3-dimethyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 2,3-dimethyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 4-hydroxy-2,3-dimethyl-benzenesulfonate CAS Name: sodium 4-hydroxy-2,3-dimethylbenzenesulfonate IUPAC Name: sodium 4-hydroxy-2,3-dimethylbenzenesulfonate Traditional Name: sodium 4-hydroxy-2,3-dimethyl-besylate Formula: C8H9NaO4S MolecularWeight: 224.20943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1C)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C8H10O4S.Na/c1-5-6(2)8(13(10,11)12)4-3-7(5)9;/h3-4,9H,1-2H3,(H,10,11,12);/q;+1/p-1