sodium 6-(methylsulfamoyl)-8-oxidanyl-naphthalene-1-sulfonate hydrate

Systemtic Name: sodium 6-(methylsulfamoyl)-8-oxidanyl-naphthalene-1-sulfonate hydrate Openeye Name: sodium 8-hydroxy-6-(methylsulfamoyl)naphthalene-1-sulfonate hydrate CAS Name: sodium 8-hydroxy-6-(methylsulfamoyl)-1-naphthalenesulfonate hydrate IUPAC Name: sodium 8-hydroxy-6-(methylsulfamoyl)naphthalene-1-sulfonate hydrate Traditional Name: sodium 8-hydroxy-6-(methylsulfamoyl)naphthalene-1-sulfonate hydrate Formula: C11H12NNaO7S2 MolecularWeight: 357.33525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C2C(=C1)C=CC=C2S(=O)(=O)[O-])O.O.[Na+]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C2C(=C1)C=CC=C2S(=O)(=O)[O-])O.O.[Na+]

InChI

InChI=1S/C11H11NO6S2.Na.H2O/c1-12-19(14,15)8-5-7-3-2-4-10(20(16,17)18)11(7)9(13)6-8;;/h2-6,12-13H,1H3,(H,16,17,18);;1H2/q;+1;/p-1