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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium salt (1:4)
RN: 111211-41-7
InChIKey: VKWLEXNGLGXLTA-WPWJTNPYSA-J

Classification Code

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

Molecular Formula

  • C27-H22-Cl-N7-O16-S5.4K

Molecular Weight

  • 1048.6472
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, tetrapotassium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium salt (1:4)

Registry Numbers

CAS Registry Number

  • 111211-41-7

System Generated Number

  • 0111211417

Molecular Formulas

Molecular Formula

  • C27-H22-Cl-N7-O16-S5.4K

Molecular Formula Fragments

  • C27-H22-Cl-N7-O16-S5
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C27H22ClN7O16S5.4K/c28-25-31-26(29-15-5-7-16(8-6-15)52(37,38)10-9-51-56(48,49)50)33-27(32-25)30-19-13-17(53(39,40)41)11-14-12-21(55(45,46)47)23(24(36)22(14)19)35-34-18-3-1-2-4-20(18)54(42,43)44;;;;/h1-8,11-13,36H,9-10H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4/b35-34+;;;;

InChIKey

VKWLEXNGLGXLTA-WPWJTNPYSA-J

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Cl)Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1c(S(=O)(=O)[O-])cccc1.[K+].[K+].[K+].[K+]