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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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