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Substance Name: Trisodium 3-((4-(allylsulphonyl)phenyl)azo)-4-amino-6-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate
RN: 85586-77-2
InChIKey: NYPSNPPQIZWIMX-FGDFEUGYSA-K

Molecular Formula

  • C28-H21-Cl2-N9-O12-S4.3Na

Molecular Weight

  • 940.6412
 
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Names and Synonyms

Synonym

  • EINECS 287-883-8

Systematic Name

  • Trisodium 3-((4-(allylsulphonyl)phenyl)azo)-4-amino-6-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85586-77-2

System Generated Number

  • 0085586772

Molecular Formulas

Molecular Formula

  • C28-H21-Cl2-N9-O12-S4.3Na

Molecular Formula Fragments

  • C28-H21-Cl2-N9-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H21Cl2N9O12S4.3Na/c1-2-9-52(41,42)16-6-3-14(4-7-16)36-38-23-19(54(46,47)48)10-13-11-20(55(49,50)51)24(25(40)21(13)22(23)31)39-37-17-12-15(5-8-18(17)53(43,44)45)32-28-34-26(29)33-27(30)35-28;;;/h2-8,10-12,40H,1,9,31H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);;;/q;3*+1/p-3/b38-36+,39-37+;;;

InChIKey

NYPSNPPQIZWIMX-FGDFEUGYSA-K

Smiles

C=CCS(=O)(=O)c1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2N)O)/N=N/c4cc(ccc4S(=O)(=O)[O-])Nc5nc(nc(n5)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]