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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-6-(2-(5-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-5-hydroxy-3-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:5)
RN: 80156-94-1
InChIKey: CYHNYXLZHYASKT-CDEJRQRBSA-I

Classification Code

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

Molecular Formula

  • C33-H27-Cl-N10-O19-S6.5Na

Molecular Weight

  • 1205.39
 
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Names and Synonyms

Synonym

  • EINECS 279-407-2

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-6-((5-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-5-hydroxy-3-((4-sulfophenyl)azo)-, pentasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-amino-6-(2-(5-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-5-hydroxy-3-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:5)

Registry Numbers

CAS Registry Number

  • 80156-94-1

System Generated Number

  • 0080156941

Molecular Formulas

Molecular Formula

  • C33-H27-Cl-N10-O19-S6.5Na

Molecular Formula Fragments

  • C33-H27-Cl-N10-O19-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H27ClN10O19S6.5Na/c34-31-38-32(36-18-2-1-3-21(14-18)64(46,47)11-10-63-69(60,61)62)40-33(39-31)37-19-6-9-23(66(51,52)53)22(15-19)42-44-29-25(68(57,58)59)13-16-12-24(67(54,55)56)28(27(35)26(16)30(29)45)43-41-17-4-7-20(8-5-17)65(48,49)50;;;;;/h1-9,12-15,45H,10-11,35H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H2,36,37,38,39,40);;;;;/q;5*+1/p-5/b43-41+,44-42+;;;;;

InChIKey

CYHNYXLZHYASKT-CDEJRQRBSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1c(c(c(c2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(ccc(c1)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])O)N)\N=N\c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]