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Substance Name: EINECS 278-139-3
RN: 75214-71-0
InChIKey: DQVQGLOBJJEZBW-PMBKUTHWSA-J

Molecular Formula

  • C64-H46-Co-N18-O22-S6.5Na

Molecular Weight

  • 1785.4504
 
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Names and Synonyms

Results Name

  • EINECS 278-139-3

Synonym

  • EINECS 278-139-3

Systematic Names

  • Cobaltate(5-), bis(4-(4-((4-(((3-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-4-hydroxyphenyl)sulfonyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonato(4-))-, pentasodium
  • Cobaltate(5-), bis(4-(4-(2-(4-(((3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)phenyl)sulfonyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonato(4-))-, sodium (1:5)

Registry Numbers

CAS Registry Number

  • 75214-71-0

Other Registry Number

  • 75767-25-8

System Generated Number

  • 0075214710

Molecular Formulas

Molecular Formula

  • C64-H46-Co-N18-O22-S6.5Na

Molecular Formula Fragments

  • C64-H46-Co-N18-O22-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C32H25N9O11S3.Co.5Na/c2*1-18-29(31(43)40(37-18)22-7-11-24(12-8-22)54(47,48)49)35-33-20-3-5-21(6-4-20)39-53(45,46)26-15-16-28(42)27(17-26)34-36-30-19(2)38-41(32(30)44)23-9-13-25(14-10-23)55(50,51)52;;;;;;/h2*3-17,39,42H,1-2H3,(H,47,48,49)(H,50,51,52);;;;;;/q;;-1;5*+1/p-4/b2*35-33+,36-34+;;;;;;

InChIKey

DQVQGLOBJJEZBW-PMBKUTHWSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].CC1=NN2C(=O)C13N=Nc4ccc(NS(=O)(=O)c5ccc(O)c(c5)N=NC67C(=NN(C6=O)c8ccc(cc8)S(=O)(=O)O[Co-5]379%10%11(OS(=O)(=O)c%12ccc(cc%12)N%13N=C(C)C9(N=Nc%14ccc(NS(=O)(=O)c%15ccc(O)c(c%15)N=NC%10%16C(=NN(C%16=O)c%17ccc(cc%17)S(=O)(=O)O%11)C)cc%14)C%13=O)OS(=O)(=O)c%18ccc2cc%18)C)cc4