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Substance Name: Trisodium bis(3-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxy-N-(2-(sulphooxy)ethyl)benzenesulphonamidato(3-))cobaltate(3-)
RN: 83804-04-0
InChIKey: SQDZIUPYJDCOQF-UHFFFAOYSA-J

Molecular Formula

  • C36-H32-Cl2-Co-N12-O14-S4.3Na

Molecular Weight

  • 1183.7918
 
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Names and Synonyms

Synonym

  • EINECS 280-926-1

Systematic Name

  • Trisodium bis(3-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxy-N-(2-(sulphooxy)ethyl)benzenesulphonamidato(3-))cobaltate(3-)

Registry Numbers

CAS Registry Number

  • 83804-04-0

System Generated Number

  • 0083804040

Molecular Formulas

Molecular Formula

  • C36-H32-Cl2-Co-N12-O14-S4.3Na

Molecular Formula Fragments

  • C36-H32-Cl2-Co-N12-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C18H18ClN6O7S2.Co.3Na/c2*1-11-16(18(20)25(24-11)12-5-3-2-4-6-12)23-22-15-10-13(9-14(19)17(15)26)33(27,28)21-7-8-32-34(29,30)31;;;;/h2*2-6,9-10,21H,7-8H2,1H3,(H3-,20,22,23,24,26,29,30,31);;;;/q2*-1;+3;3*+1/p-4

InChIKey

SQDZIUPYJDCOQF-UHFFFAOYSA-J

Smiles

Cc1nn(c2c1/N=N/c3c4c(cc(c3)S(=O)(=O)NCCOS(=O)(=O)O[Co-3]56(O4)(N2)OS(=O)(=O)OCCNS(=O)(=O)c7cc(c(c(c7)/N=N/c8c(n(nc8C)c9ccccc9)N5)O6)Cl)Cl)c1ccccc1.[Na+].[Na+].[Na+]