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Substance Name: 1,4-Benzenedisulfonic acid, 2-(2-(6-((4-((2-(2-(ethenylsulfonyl)ethoxy)ethyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-methyl-, sodium salt (1:3)
RN: 114565-67-2
InChIKey: UVFWINRYZIXDML-RCWDREBLSA-N

Classification Code

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

Molecular Formula

  • C26-H26-F-N7-O13-S4.3Na

Molecular Weight

  • 860.7594
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 114565-67-2

System Generated Number

  • 0114565672

Structure Descriptors

InChI

1S/C26H26FN7O13S4.3Na/c1-3-48(36,37)9-8-47-7-6-28-25-30-24(27)31-26(32-25)29-16-4-5-17-15(11-16)12-21(51(44,45)46)22(23(17)35)34-33-18-13-19(49(38,39)40)14(2)10-20(18)50(41,42)43;;;/h3-5,10-13,35H,1,6-9H2,2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,28,29,30,31,32);;;/q;3*+1/b34-33+;;;

InChIKey

UVFWINRYZIXDML-RCWDREBLSA-N

Smiles

[Na+].[Na+].[Na+].Cc1cc(c(cc1S(=O)(=O)O)N=Nc2c(O)c3ccc(Nc4nc(F)nc(NCCOCCS(=O)(=O)C=C)n4)cc3cc2S(=O)(=O)O)S(=O)(=O)O