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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-((2-(2-hydroxyethoxy)ethyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)
RN: 130201-53-5
InChIKey: HLRYKWACVCXPAD-RCWDREBLSA-N

Classification Code

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

Molecular Formula

  • C24-H24-Cl-N9-O12-S3.3Na

Molecular Weight

  • 831.1256
 
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Names and Synonyms

  • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-((2-(2-hydroxyethoxy)ethyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 130201-53-5

System Generated Number

  • 0130201535

Structure Descriptors

InChI

1S/C24H24ClN9O12S3.3Na/c25-21-30-23(27-3-5-46-6-4-35)32-24(31-21)28-13-1-2-16(17(9-13)29-22(26)36)33-34-18-11-15-12(8-20(18)49(43,44)45)7-14(47(37,38)39)10-19(15)48(40,41)42;;;/h1-2,7-11,35H,3-6H2,(H3,26,29,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H2,27,28,30,31,32);;;/q;3*+1/b34-33+;;;

InChIKey

HLRYKWACVCXPAD-RCWDREBLSA-N

Smiles

[Na+].[Na+].[Na+].N\C(=N\c1cc(Nc2nc(Cl)nc(NCCOCCO)n2)ccc1N=Nc3cc4c(cc(cc4cc3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)\O