sodium 1-[[4-(hydroxymethylsulfamoyl)phenyl]amino]-2,3,4,5,6-pentakis(oxidanyl)hexane-1-sulfonic acid

Systemtic Name: sodium 1-[[4-(hydroxymethylsulfamoyl)phenyl]amino]-2,3,4,5,6-pentakis(oxidanyl)hexane-1-sulfonic acid Openeye Name: sodium 2,3,4,5,6-pentahydroxy-1-[4-(hydroxymethylsulfamoyl)anilino]hexane-1-sulfonic acid CAS Name: sodium 2,3,4,5,6-pentahydroxy-1-[4-(hydroxymethylsulfamoyl)anilino]-1-hexanesulfonic acid IUPAC Name: sodium 2,3,4,5,6-pentahydroxy-1-[4-(hydroxymethylsulfamoyl)anilino]hexane-1-sulfonic acid Traditional Name: sodium 2,3,4,5,6-pentahydroxy-1-[4-(methylolsulfamoyl)anilino]hexane-1-sulfonic acid Formula: C13H22N2NaO11S2+ MolecularWeight: 469.44035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(C(C(C(C(CO)O)O)O)O)S(=O)(=O)O)S(=O)(=O)NCO.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(C(C(C(C(CO)O)O)O)O)S(=O)(=O)O)S(=O)(=O)NCO.[Na+]

InChI

InChI=1S/C13H22N2O11S2.Na/c16-5-9(18)10(19)11(20)12(21)13(28(24,25)26)15-7-1-3-8(4-2-7)27(22,23)14-6-17;/h1-4,9-21H,5-6H2,(H,24,25,26);/q;+1