sodium 3-methyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-methyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 4-hydroxy-3-methyl-benzenesulfonate CAS Name: sodium 4-hydroxy-3-methylbenzenesulfonate IUPAC Name: sodium 4-hydroxy-3-methylbenzenesulfonate Traditional Name: sodium 4-hydroxy-3-methyl-besylate Formula: C7H7NaO4S MolecularWeight: 210.18285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O4S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1