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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)methylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)
RN: 118578-11-3
InChIKey: CSLRORHQWSNUBG-DDYPKVNFSA-N

Classification Code

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

Molecular Formula

  • C45-H32-Cl2-N14-O20-S6.x-K.x-Na

Molecular Weight

  • 1414.2158
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)methylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)

Registry Numbers

CAS Registry Number

  • 118578-11-3

Other Registry Number

  • 140876-12-6

System Generated Number

  • 0118578113

Structure Descriptors

InChI

1S/C45H32Cl2N14O20S6.K.Na/c1-61(45-54-41(47)53-44(56-45)50-29-19-25(83(67,68)69)15-21-17-33(87(79,80)81)37(39(63)35(21)29)60-58-27-7-3-5-9-31(27)85(73,74)75)23-12-10-22(11-13-23)48-42-51-40(46)52-43(55-42)49-28-18-24(82(64,65)66)14-20-16-32(86(76,77)78)36(38(62)34(20)28)59-57-26-6-2-4-8-30(26)84(70,71)72;;/h2-19,62-63H,1H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,50,53,54,56)(H2,48,49,51,52,55);;/q;2*+1/b59-57+,60-58+;;

InChIKey

CSLRORHQWSNUBG-DDYPKVNFSA-N

Smiles

[Na+].[K+].CN(c1ccc(Nc2nc(Cl)nc(Nc3cc(cc4cc(c(N=Nc5ccccc5S(=O)(=O)O)c(O)c34)S(=O)(=O)O)S(=O)(=O)O)n2)cc1)c6nc(Cl)nc(Nc7cc(cc8cc(c(N=Nc9ccccc9S(=O)(=O)O)c(O)c78)S(=O)(=O)O)S(=O)(=O)O)n6