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Substance Name: 4-Methyl-2,6-bis((2-(sulphooxy)ethyl)amino)-5-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)nicotinonitrile, sodium salt
RN: 94158-85-7
InChIKey: QGAARQJCGSHJDQ-QREUMGABSA-M

Molecular Formula

  • C19-H24-N6-O14-S4.x-Na

Molecular Weight

  • 710.6727
 
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Names and Synonyms

Synonym

  • EINECS 303-159-7

Systematic Name

  • 4-Methyl-2,6-bis((2-(sulphooxy)ethyl)amino)-5-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)nicotinonitrile, sodium salt

Registry Numbers

CAS Registry Number

  • 94158-85-7

System Generated Number

  • 0094158857

Molecular Formulas

Molecular Formula

  • C19-H24-N6-O14-S4.x-Na

Molecular Formula Fragments

  • C19-H24-N6-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H24N6O14S4.Na/c1-13-16(12-20)18(21-6-8-37-41(28,29)30)23-19(22-7-9-38-42(31,32)33)17(13)25-24-14-2-4-15(5-3-14)40(26,27)11-10-39-43(34,35)36;/h2-5H,6-11H2,1H3,(H2,21,22,23)(H,28,29,30)(H,31,32,33)(H,34,35,36);/q;+1/p-1/b25-24+;

InChIKey

QGAARQJCGSHJDQ-QREUMGABSA-M

Smiles

c1(c(nc(c(c1C)C#N)NCCOS(=O)(=O)O)NCCOS(=O)(=O)O)/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+]