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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:4)
RN: 111211-40-6
InChIKey: DSCQOECXSNCBQK-RTBGNPICSA-J

Classification Code

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

Molecular Formula

  • C29-H26-Cl-N7-O19-S6.4Na

Molecular Weight

  • 1092.3318
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 111211-40-6

System Generated Number

  • 0111211406

Molecular Formulas

Molecular Formula

  • C29-H26-Cl-N7-O19-S6.4Na

Molecular Formula Fragments

  • C29-H26-Cl-N7-O19-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H26ClN7O19S6.4Na/c30-27-33-28(31-17-1-5-19(6-2-17)57(39,40)11-9-55-61(49,50)51)35-29(34-27)32-22-15-21(59(43,44)45)13-16-14-23(60(46,47)48)25(26(38)24(16)22)37-36-18-3-7-20(8-4-18)58(41,42)12-10-56-62(52,53)54;;;;/h1-8,13-15,38H,9-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,31,32,33,34,35);;;;/q;4*+1/p-4/b37-36+;;;;

InChIKey

DSCQOECXSNCBQK-RTBGNPICSA-J

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Cl)Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+]