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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
RN: 79809-27-1
InChIKey: YCAAIPPSXPIOSA-LLAJLYISSA-J

Classification Code

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

Molecular Formula

  • C31-H24-Cl-N7-O16-S5.4Na

Molecular Weight

  • 1034.275
 
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Names and Synonyms

  • 1,5-Naphthalenedisulfonic acid, 2-((6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, tetrasodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 79809-27-1

System Generated Number

  • 0079809271

Molecular Formulas

Molecular Formula

  • C31-H24-Cl-N7-O16-S5.4Na

Molecular Formula Fragments

  • C31-H24-Cl-N7-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H24ClN7O16S5.4Na/c32-29-35-30(33-17-4-7-19(8-5-17)56(41,42)13-12-55-60(52,53)54)37-31(36-29)34-18-6-9-20-16(14-18)15-25(58(46,47)48)26(27(20)40)39-38-23-11-10-21-22(28(23)59(49,50)51)2-1-3-24(21)57(43,44)45;;;;/h1-11,14-15,40H,12-13H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);;;;/q;4*+1/p-4/b39-38+;;;;

InChIKey

YCAAIPPSXPIOSA-LLAJLYISSA-J

Smiles

c1cc2c(ccc(c2S(=O)(=O)[O-])N=Nc3c(cc4cc(ccc4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(cc6)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]