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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:5)
RN: 34759-29-0
InChIKey: CJWGCINWZIYUOA-GQOWZRQJSA-I

Molecular Formula

  • C35-H26-Cl2-N14-O16-S5.5Na

Molecular Weight

  • 1239.82
 
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Names and Synonyms

Synonym

  • EINECS 252-193-8

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 34759-29-0

System Generated Number

  • 0034759290

Molecular Formulas

Molecular Formula

  • C35-H26-Cl2-N14-O16-S5.5Na

Molecular Formula Fragments

  • C35-H26-Cl2-N14-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H26Cl2N14O16S5.5Na/c36-29-44-32(39-16-2-1-3-19(10-16)68(53,54)55)48-33(45-29)41-18-5-7-26(70(59,60)61)24(12-18)43-35-47-30(37)46-34(49-35)40-17-4-6-22(23(11-17)42-31(38)52)50-51-25-14-21-15(9-28(25)72(65,66)67)8-20(69(56,57)58)13-27(21)71(62,63)64;;;;;/h1-14H,(H3,38,42,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,39,41,44,45,48)(H2,40,43,46,47,49);;;;;/q;5*+1/p-5/b51-50+;;;;;

InChIKey

CJWGCINWZIYUOA-GQOWZRQJSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1(cc(cc2cc(c(cc12)\N=N\c1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1c(ccc(c1)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]