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Substance Name: 1,3-Benzenedisulfonic acid, 4-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, potassium salt (1:3)
RN: 111211-44-0
InChIKey: PTWLYWRZOZAAFJ-FEISSGSOSA-K

Classification Code

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

Molecular Formula

  • C26-H26-Cl-N9-O15-S4.3K

Molecular Weight

  • 982.5267
 
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Names and Synonyms

  • 1,3-Benzenedisulfonic acid, 4-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, tripotassium salt
  • 1,3-Benzenedisulfonic acid, 4-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, potassium salt (1:3)

Registry Numbers

CAS Registry Number

  • 111211-44-0

System Generated Number

  • 0111211440

Molecular Formulas

Molecular Formula

  • C26-H26-Cl-N9-O15-S4.3K

Molecular Formula Fragments

  • C26-H26-Cl-N9-O15-S4
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C26H26ClN9O15S4.3K/c1-3-36-22(38)19(21(28)37)12(2)20(23(36)39)35-34-16-10-15(17(53(42,43)44)11-18(16)54(45,46)47)30-26-32-24(27)31-25(33-26)29-13-4-6-14(7-5-13)52(40,41)9-8-51-55(48,49)50;;;/h4-7,10-11,39H,3,8-9H2,1-2H3,(H2,28,37)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

PTWLYWRZOZAAFJ-FEISSGSOSA-K

Smiles

c1(c(n(c(=O)c(c1C)C(=O)N)CC)O)/N=N/c1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(c1)Nc1nc(nc(n1)Cl)Nc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[K+].[K+].[K+]