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Substance Name: EINECS 264-495-7
RN: 63817-39-0
InChIKey: DERXBASKAWGGIR-SJTGQFOWSA-K

Molecular Formula

  • C27-H22-F-N9-O10-S3.3Na

Molecular Weight

  • 813.666
 
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Names and Synonyms

Results Name

  • EINECS 264-495-7

Synonyms

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt
  • EINECS 264-495-7

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt
  • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 7-((2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate

Registry Numbers

CAS Registry Number

  • 63817-39-0

System Generated Number

  • 0063817390

Molecular Formulas

Molecular Formula

  • C27-H22-F-N9-O10-S3.3Na

Molecular Formula Fragments

  • C27-H22-F-N9-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H22FN9O10S3.3Na/c1-13-4-2-3-5-18(13)32-27-34-24(28)33-26(35-27)30-15-6-7-19(20(10-15)31-25(29)38)36-37-21-12-17-14(9-23(21)50(45,46)47)8-16(48(39,40)41)11-22(17)49(42,43)44;;;/h2-12H,1H3,(H3,29,31,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,30,32,33,34,35);;;/q;3*+1/p-3/b37-36+;;;

InChIKey

DERXBASKAWGGIR-SJTGQFOWSA-K

Smiles

c1(c(cccc1)C)Nc1nc(nc(Nc2ccc(c(NC(=O)N)c2)\N=N\c2c(S(=O)([O-])=O)cc3c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3)c2)n1)F.[Na+].[Na+].[Na+]