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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((2-(2-(ethenylsulfonyl)ethoxy)ethyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
RN: 259795-03-4
InChIKey: UVTDHOAQNRRJIJ-SJTGQFOWSA-N

Classification Codes

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)

Molecular Formula

  • C29-H26-Cl-N7-O13-S4.3Na

Molecular Weight

  • 913.2474
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((2-(2-(ethenylsulfonyl)ethoxy)ethyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 259795-03-4

System Generated Number

  • 0259795034

Structure Descriptors

InChI

1S/C29H26ClN7O13S4.3Na/c1-2-51(39,40)12-11-50-10-9-31-28-33-27(30)34-29(35-28)32-21-15-18(52(41,42)43)13-17-14-22(53(44,45)46)24(25(38)23(17)21)37-36-20-8-7-16-5-3-4-6-19(16)26(20)54(47,48)49;;;/h2-8,13-15,38H,1,9-12H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,33,34,35);;;/q;3*+1/b37-36+;;;

InChIKey

UVTDHOAQNRRJIJ-SJTGQFOWSA-N

Smiles

[Na+].[Na+].[Na+].Oc1c(N=Nc2ccc3ccccc3c2S(=O)(=O)O)c(cc4cc(cc(Nc5nc(Cl)nc(NCCOCCS(=O)(=O)C=C)n5)c14)S(=O)(=O)O)S(=O)(=O)O