sodium 3,5-dimethyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3,5-dimethyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 4-hydroxy-3,5-dimethyl-benzenesulfonate CAS Name: sodium 4-hydroxy-3,5-dimethylbenzenesulfonate IUPAC Name: sodium 4-hydroxy-3,5-dimethylbenzenesulfonate Traditional Name: sodium 4-hydroxy-3,5-dimethyl-besylate Formula: C8H9NaO4S MolecularWeight: 224.20943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)S(=O)(=O)[O-].[Na+]

InChI

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