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Substance Name: Trihydrogen bis(3-((4-chloro-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonato(3-))cobaltate(3-)
RN: 94276-73-0
InChIKey: GHOGOVCVIAFLKH-GQPWVPPYSA-M

Molecular Formula

  • C30-H26-Cl2-Co-N18-O12-S2.3H

Molecular Weight

  • 1027.6441
 
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Names and Synonyms

Synonym

  • EINECS 304-558-9

Systematic Name

  • Trihydrogen bis(3-((4-chloro-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonato(3-))cobaltate(3-)

Registry Numbers

CAS Registry Number

  • 94276-73-0

System Generated Number

  • 0094276730

Molecular Formulas

Molecular Formula

  • C30-H26-Cl2-Co-N18-O12-S2.3H

Molecular Formula Fragments

  • C30-H26-Cl2-Co-N18-O12-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C15H15ClN9O6S.Co/c2*1-6-10(12(28)25-22-6)24-23-9-5-7(32(29,30)31)4-8(11(9)27)18-15-20-13(16)19-14(21-15)17-2-3-26;/h2*4-5,10,27H,2-3H2,1H3,(H,25,28)(H,29,30,31)(H2,17,18,19,20,21);/q2*-1;+3/p-1/b2*24-23+;

InChIKey

GHOGOVCVIAFLKH-GQPWVPPYSA-M

Smiles

[H+].[H+].[H+].CC1=NNC(=O)C1/N=N/c2c3c4cc(c2)S(=O)(=O)O[Co-3]56(O3)(OS(=O)(=O)c7cc(c(c(c7)Nc8nc(nc(n8)NCCO5)Cl)O6)/N=N/C9C(=O)NN=C9C)OCCNc1nc(nc(n1)N4)Cl