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Substance Name: Cobaltate(9-), bis(5-((4-chloro-6-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-sulfophenyl)azo)-2,7-naphthalenedisulfonato(6-))-, nonasodium
RN: 83417-34-9
InChIKey: HRTLRDIBHRXQIE-PLCVCXJESA-B

Molecular Formula

  • C58-H24-Cl4-Co-F4-N20-O28-S8.9Na

Molecular Weight

  • 2189.1146
 
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Names and Synonyms

Synonym

  • EINECS 280-448-3

Systematic Name

  • Cobaltate(9-), bis(5-((4-chloro-6-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-sulfophenyl)azo)-2,7-naphthalenedisulfonato(6-))-, nonasodium

Registry Numbers

CAS Registry Number

  • 83417-34-9

System Generated Number

  • 0083417349

Molecular Formulas

Molecular Formula

  • C58-H24-Cl4-Co-F4-N20-O28-S8.9Na

Molecular Formula Fragments

  • C58-H24-Cl4-Co-F4-N20-O28-S8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C29H18Cl2F2N10O14S4.Co.9Na/c2*30-21-24(32)37-27(33)38-25(21)34-11-1-4-18(60(52,53)54)15(7-11)35-28-39-26(31)40-29(41-28)36-16-9-13(59(49,50)51)5-10-6-19(61(55,56)57)22(23(45)20(10)16)43-42-14-8-12(58(46,47)48)2-3-17(14)44;;;;;;;;;;/h2*1-9,44-45H,(H,34,37,38)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,35,36,39,40,41);;;;;;;;;;/q;;+3;9*+1/p-12/b2*43-42+;;;;;;;;;;

InChIKey

HRTLRDIBHRXQIE-PLCVCXJESA-B

Smiles

c1c(cc2c(c1)S(=O)(=O)O[Co-9]34567891%10(OS(=O)(=O)c%11c(c(c%12c(cc(cc%12c%11)S(=O)(=O)O3)Nc3nc(nc(n3)Nc3c(ccc(c3)Nc3nc(nc(c3Cl)F)F)S(=O)(=O)O4)Cl)O5)/N=N/c3c(ccc(c3)S(=O)(=O)O6)O7)OS(=O)(=O)c3c(c(c4c(cc(cc4c3)S(=O)(=O)O8)Nc3nc(nc(n3)N2)Cl)O9)/N=N/c2c(ccc(c2)S(=O)(=O)O1)O%10)Nc1nc(nc(c1Cl)F)F.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]