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Substance Name: Tetrasodium (7-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-8-hydroxynaphthalene-1,3,5-trisulphonato(6-))cuprate(4-)
RN: 83949-58-0
InChIKey: PSFFLKAIDJCMKI-KPUQBPQBSA-H

Molecular Formula

  • C24-H8-Cl-Cu-F2-N5-O14-S4.4Na

Molecular Weight

  • 947.5672
 
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Names and Synonyms

Synonym

  • EINECS 281-418-2

Systematic Name

  • Tetrasodium (7-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-8-hydroxynaphthalene-1,3,5-trisulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 83949-58-0

System Generated Number

  • 0083949580

Molecular Formulas

Molecular Formula

  • C24-H8-Cl-Cu-F2-N5-O14-S4.4Na

Molecular Formula Fragments

  • C24-H8-Cl-Cu-F2-N5-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H14ClF2N5O14S4.Cu.4Na/c25-18-22(26)29-24(27)30-23(18)28-9-1-2-11-8(3-9)4-16(50(44,45)46)19(20(11)33)32-31-13-7-14(48(38,39)40)12-5-10(47(35,36)37)6-15(49(41,42)43)17(12)21(13)34;;;;;/h1-7,33-34H,(H,28,29,30)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;;/q;+2;4*+1/p-6/b32-31+;;;;;

InChIKey

PSFFLKAIDJCMKI-KPUQBPQBSA-H

Smiles

c1cc2c(cc1Nc3c(c(nc(n3)F)F)Cl)cc4c\5c2O[Cu-4]678(Oc9c(cc(c1c9c(cc(c1)S(=O)(=O)O6)S(=O)(=O)O7)S(=O)(=O)O8)/N=N5)OS4(=O)=O.[Na+].[Na+].[Na+].[Na+]