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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:5)
RN: 77365-64-1
InChIKey: GCFAQSYBSUQUPL-YJHJEDMFSA-I

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C31-H24-Cl-N7-O19-S6.5Na

Molecular Weight

  • 1136.32
 
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Names and Synonyms

Synonym

  • EINECS 278-674-2

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((8-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, pentasodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:5)
  • Pentasodium 2-((8-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 77365-64-1

System Generated Number

  • 0077365641

Molecular Formulas

Molecular Formula

  • C31-H24-Cl-N7-O19-S6.5Na

Molecular Formula Fragments

  • C31-H24-Cl-N7-O19-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-3-1-4-17(13-16)59(41,42)10-9-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)11-15-12-24(62(49,50)51)26(27(40)25(15)22)39-38-21-8-7-19-20(28(21)63(52,53)54)5-2-6-23(19)61(46,47)48;;;;;/h1-8,11-14,40H,9-10H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5/b39-38+;;;;;

InChIKey

GCFAQSYBSUQUPL-YJHJEDMFSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-]