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Substance Name: Pentahydrogen bis(4-((6-((4-chloro-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-2-naphthyl-3-sulpho)azo)-3-hydroxy-7-nitronaphthalen-1-sulphonato(4-))cobaltate(5-)
RN: 94276-71-8
InChIKey: LYZSYLBRSUFORJ-UIZXEUGESA-K

Molecular Formula

  • C50-H30-Cl2-Co-N16-O22-S4.5H

Molecular Weight

  • 1470.0195
 
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Names and Synonyms

Synonym

  • EINECS 304-556-8

Systematic Name

  • Pentahydrogen bis(4-((6-((4-chloro-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-2-naphthyl-3-sulpho)azo)-3-hydroxy-7-nitronaphthalen-1-sulphonato(4-))cobaltate(5-)

Registry Numbers

CAS Registry Number

  • 94276-71-8

System Generated Number

  • 0094276718

Molecular Formulas

Molecular Formula

  • C50-H30-Cl2-Co-N16-O22-S4.5H

Molecular Formula Fragments

  • C50-H30-Cl2-Co-N16-O22-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C25H19ClN8O11S2.Co/c2*26-23-29-24(27-5-6-35)31-25(30-23)28-15-7-12-8-17(36)19(22(47(43,44)45)14(12)10-16(15)34(38)39)32-33-20-18(46(40,41)42)9-11-3-1-2-4-13(11)21(20)37;/h2*1-4,7-10,35-37H,5-6H2,(H,40,41,42)(H,43,44,45)(H2,27,28,29,30,31);/q;;+3/p-3/b2*33-32+;

InChIKey

LYZSYLBRSUFORJ-UIZXEUGESA-K

Smiles

[H+].[H+].[H+].[H+].[H+].c1cc2c(c3c\4c(c2)S(=O)(=O)O[Co-5]5678(O3)(OS(=O)(=O)c9c(c(cc2c9cc(c(c2)Nc2nc(nc(n2)NCCO)Cl)[N+](=O)[O-])O5)/N=N/c2c(c3c(cc2S(=O)(=O)O6)cccc3)O7)OS(=O)(=O)c2c(c(cc3c2cc(c(c3)Nc2nc(nc(n2)NCCO)Cl)[N+](=O)[O-])O8)/N=N4)cc1