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Substance Name: Trisodium 4-((6-((4-chloro-6-((4-methoxy-2-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate
RN: 84045-66-9
InChIKey: RMMUIUVBLRDWSE-FEISSGSOSA-K

Molecular Formula

  • C28-H22-Cl-N7-O10-S2.3Na

Molecular Weight

  • 782.0521
 
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Names and Synonyms

Synonym

  • EINECS 281-867-4

Systematic Name

  • Trisodium 4-((6-((4-chloro-6-((4-methoxy-2-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate

Registry Numbers

CAS Registry Number

  • 84045-66-9

System Generated Number

  • 0084045669

Molecular Formulas

Molecular Formula

  • C28-H22-Cl-N7-O10-S2.3Na

Molecular Formula Fragments

  • C28-H22-Cl-N7-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H22ClN7O10S2.3Na/c1-36(28-32-26(29)31-27(33-28)30-20-10-8-18(46-2)13-21(20)47(40,41)42)17-7-9-19-15(11-17)12-22(48(43,44)45)23(24(19)37)35-34-16-5-3-14(4-6-16)25(38)39;;;/h3-13,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

RMMUIUVBLRDWSE-FEISSGSOSA-K

Smiles

CN(c1ccc2c(c1)cc(c(c2O)/N=N/c3ccc(cc3)C(=O)[O-])S(=O)(=O)[O-])c4nc(nc(n4)Cl)Nc5ccc(cc5S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+]