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Substance Name: Levafix orange E 3GA
RN: 72828-73-0
InChIKey: XAQCRMBBLVHCHU-YIWBEPSUSA-K

Molecular Formula

  • C24-H14-Cl-F2-N5-O10-S3.3Na

Molecular Weight

  • 767.993
 
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Names and Synonyms

Results Name

  • Levafix orange E 3GA

Synonyms

  • 7-((5-Chloro-2,4-difluoro-6-pyrimidyl)amino)-4-hydroxy-3-((1,5-disulfo-2-naphthyl)azo)-2-naphthalenesulfonic acid, trisodium salt
  • 7-((5-Chloro-2,4-difluoropyrimidin-6-yl)amino)-4-hydroxy-3-((1,5-disulfonaphthalen-2-yl)azo)-2-naphthalenesulfonic acid, trisodium salt
  • C.I. Reactive Orange 64
  • Levafix orange E 3GA

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 72828-73-0

Other Registry Numbers

  • 61901-80-2
  • 62996-79-6

System Generated Number

  • 0072828730

Molecular Formulas

Molecular Formula

  • C24-H14-Cl-F2-N5-O10-S3.3Na

Molecular Formula Fragments

  • C24-H14-Cl-F2-N5-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H14ClF2N5O10S3.3Na/c25-18-22(26)29-24(27)30-23(18)28-11-4-5-12-10(8-11)9-17(44(37,38)39)19(20(12)33)32-31-15-7-6-13-14(21(15)45(40,41)42)2-1-3-16(13)43(34,35)36;;;/h1-9,33H,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

XAQCRMBBLVHCHU-YIWBEPSUSA-K

Smiles

[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])Nc1nc(nc(c1Cl)F)F)O)S(=O)(=O)[O-]