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Substance Name: Trisodium 2-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonate
RN: 85631-75-0
InChIKey: FUGDXAAYCZQYSW-DKZBWMTHSA-K

Molecular Formula

  • C27-H20-Cl2-N8-O9-S3.3Na

Molecular Weight

  • 833.5523
 
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Names and Synonyms

Synonym

  • EINECS 288-023-4

Systematic Name

  • Trisodium 2-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 85631-75-0

System Generated Number

  • 0085631750

Molecular Formulas

Molecular Formula

  • C27-H20-Cl2-N8-O9-S3.3Na

Molecular Formula Fragments

  • C27-H20-Cl2-N8-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H20Cl2N8O9S3.3Na/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3/b35-34+,37-36+;;;

InChIKey

FUGDXAAYCZQYSW-DKZBWMTHSA-K

Smiles

S(=O)(=O)(c1c(/N=N/c2cc(c(/N=N/c3c4c(c(Nc5nc(nc(n5)Cl)Cl)cc3)ccc(S(=O)(=O)[O-])c4)cc2C)C)cc(S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+].[Na+]