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Substance Name: EINECS 289-537-1
RN: 89923-44-4
InChIKey: DBJUIWDAXPAOCU-BCZROYSXSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C31-H24-F-N7-O10-S3.3Na

Molecular Weight

  • 835.7119
 
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Names and Synonyms

Results Name

  • EINECS 289-537-1

Synonym

  • EINECS 289-537-1

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((6-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 2-((6-((4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 89923-44-4

System Generated Number

  • 0089923444

Molecular Formulas

Molecular Formula

  • C31-H24-F-N7-O10-S3.3Na

Molecular Formula Fragments

  • C31-H24-F-N7-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H24FN7O10S3.3Na/c1-2-16-6-3-4-8-22(16)34-31-36-29(32)35-30(37-31)33-18-10-11-19-17(14-18)15-25(51(44,45)46)26(27(19)40)39-38-23-13-12-20-21(28(23)52(47,48)49)7-5-9-24(20)50(41,42)43;;;/h3-15,38H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,33,34,35,36,37);;;/q;3*+1/p-3/b39-26-;;;

InChIKey

DBJUIWDAXPAOCU-BCZROYSXSA-K

Smiles

[Na+].[Na+].[Na+].CCc1ccccc1Nc2nc(F)nc(Nc3ccc4C(=O)\C(=N/Nc5ccc6c(cccc6c5S(=O)(=O)[O-])S(=O)(=O)[O-])\C(=Cc4c3)S(=O)(=O)[O-])n2