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Substance Name: EINECS 274-673-6
RN: 70571-70-9
InChIKey: OZSZYYIHCQORMO-SJTGQFOWSA-K

Molecular Formula

  • C30-H22-F-N7-O10-S3.3Na

Molecular Weight

  • 821.685
 
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Names and Synonyms

Results Name

  • EINECS 274-673-6

Synonym

  • EINECS 274-673-6

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 70571-70-9

System Generated Number

  • 0070571709

Molecular Formulas

Molecular Formula

  • C30-H22-F-N7-O10-S3.3Na

Molecular Formula Fragments

  • C30-H22-F-N7-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H22FN7O10S3.3Na/c1-38(18-6-3-2-4-7-18)30-34-28(31)33-29(35-30)32-17-10-11-19-16(14-17)15-24(50(43,44)45)25(26(19)39)37-36-22-13-12-20-21(27(22)51(46,47)48)8-5-9-23(20)49(40,41)42;;;/h2-15,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,32,33,34,35);;;/q;3*+1/p-3/b37-36+;;;

InChIKey

OZSZYYIHCQORMO-SJTGQFOWSA-K

Smiles

[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])Nc1nc(nc(n1)F)N(c1ccccc1)C)O)S(=O)(=O)[O-]