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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)
RN: 70210-26-3
InChIKey: VGXADPOLEBTNLQ-YIWBEPSUSA-K

Molecular Formula

  • C23-H21-Cl-N8-O11-S3.3Na

Molecular Weight

  • 783.061
 
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Names and Synonyms

Synonyms

  • 7-((2-((Aminocarbonyl)amino)-4-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)phenyl)azo)-1,3,6-naphthalenetrisulfonic acid, trisodium salt
  • EINECS 274-423-6

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt
  • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate

Registry Numbers

CAS Registry Number

  • 70210-26-3

System Generated Number

  • 0070210263

Molecular Formulas

Molecular Formula

  • C23-H21-Cl-N8-O11-S3.3Na

Molecular Formula Fragments

  • C23-H21-Cl-N8-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H21ClN8O11S3.3Na/c1-10(2)43-23-29-20(24)28-22(30-23)26-12-3-4-15(16(7-12)27-21(25)33)31-32-17-9-14-11(6-19(17)46(40,41)42)5-13(44(34,35)36)8-18(14)45(37,38)39;;;/h3-10H,1-2H3,(H3,25,27,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,26,28,29,30);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

VGXADPOLEBTNLQ-YIWBEPSUSA-K

Smiles

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