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Substance Name: Trisodium 7-((4-chloro-6-(phenyl(sulphonatomethyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2-sulphonate
RN: 85455-59-0
InChIKey: WIZBPMQAMJNOHO-RCWDREBLSA-K

Molecular Formula

  • C27-H22-Cl-N7-O11-S3.3Na

Molecular Weight

  • 818.1061
 
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Names and Synonyms

Synonym

  • EINECS 287-295-1

Systematic Name

  • Trisodium 7-((4-chloro-6-(phenyl(sulphonatomethyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 85455-59-0

System Generated Number

  • 0085455590

Molecular Formulas

Molecular Formula

  • C27-H22-Cl-N7-O11-S3.3Na

Molecular Formula Fragments

  • C27-H22-Cl-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H22ClN7O11S3.3Na/c1-46-18-8-10-20(21(13-18)48(40,41)42)33-34-23-22(49(43,44)45)12-15-11-16(7-9-19(15)24(23)36)29-26-30-25(28)31-27(32-26)35(14-47(37,38)39)17-5-3-2-4-6-17;;;/h2-13,36H,14H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3/b34-33+;;;

InChIKey

WIZBPMQAMJNOHO-RCWDREBLSA-K

Smiles

c1(nc(nc(n1)Cl)Nc1cc2cc(S(=O)(=O)[O-])c(/N=N/c3c(S(=O)(=O)[O-])cc(cc3)OC)c(c2cc1)O)N(CS(=O)(=O)[O-])c1ccccc1.[Na+].[Na+].[Na+]