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Substance Name: Cobaltate(5-), bis(4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, sodium (1:5)
RN: 74196-19-3
InChIKey: QIITZJDUZHBZBN-IKNCFTKNSA-F

Molecular Formula

  • C40-H14-Cl6-Co-N12-O20-S4.5Na

Molecular Weight

  • 1497.4796
 
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Names and Synonyms

  • Cobaltate(5-), bis(4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, pentasodium
  • Cobaltate(5-), bis(4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, sodium (1:5)

Registry Numbers

CAS Registry Number

  • 74196-19-3

System Generated Number

  • 0074196193

Molecular Formulas

Molecular Formula

  • C40-H14-Cl6-Co-N12-O20-S4.5Na

Molecular Formula Fragments

  • C40-H14-Cl6-Co-N12-O20-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C20H11Cl3N6O10S2.Co.5Na/c2*21-15-18(22)25-20(23)26-19(15)24-11-6-9(40(34,35)36)3-7-4-13(41(37,38)39)16(17(31)14(7)11)28-27-10-5-8(29(32)33)1-2-12(10)30;;;;;;/h2*1-6,30-31H,(H,24,25,26)(H,34,35,36)(H,37,38,39);;;;;;/q;;+3;5*+1/p-8/b2*28-27+;;;;;;

InChIKey

QIITZJDUZHBZBN-IKNCFTKNSA-F

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc2O[Co-5]34567(Oc8ccc(cc8N=Nc9c(O3)c%10c(Nc%11nc(Cl)nc(Cl)c%11Cl)cc(cc%10cc9S(=O)(=O)O4)S(=O)(=O)O5)[N+](=O)[O-])Oc%12c(N=Nc2c1)c(cc%13cc(cc(Nc%14nc(Cl)nc(Cl)c%14Cl)c%12%13)S(=O)(=O)O6)S(=O)(=O)O7