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Substance Name: Cobaltate(3-), bis(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen, compd. with 2,2'-iminobis(ethanol) (1:3:3)
RN: 72797-09-2
InChIKey: KBOYQAMAEBCDTR-RUZCOOILSA-K

Molecular Formula

  • C40-H20-Co-N6-O14-S2.3C4-H11-N-O2.3H

Molecular Weight

  • 1250.1224
 
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Names and Synonyms

Synonym

  • Cobaltate(3-), bis(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato)-, trihydrogen, compd. with diethanolamine (1:3)

Systematic Names

  • Cobaltate(3-), bis(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen, compd. with 2,2'-iminobis(ethanol) (1:3:3)
  • Cobaltate(3-), bis(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, trihydrogen, compd. with 2,2'-iminobis(ethanol) (1:3)

Registry Numbers

CAS Registry Number

  • 72797-09-2

System Generated Number

  • 0072797092

Molecular Formulas

Molecular Formula

  • C40-H20-Co-N6-O14-S2.3C4-H11-N-O2.3H

Molecular Formula Fragments

  • C4-H11-N-O2
  • C40-H20-Co-N6-O14-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C20H13N3O7S.3C4H11NO2.Co/c2*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;3*6-3-1-5-2-4-7;/h2*1-10,24-25H,(H,28,29,30);3*5-7H,1-4H2;/q;;;;;+3/p-3/b2*22-21+;;;;

InChIKey

KBOYQAMAEBCDTR-RUZCOOILSA-K

Smiles

[H+].[H+].[H+].c1cc2c(c\3c(cc2)O[Co-3]456(OS(=O)(=O)c7c8c(c(c(c7)O4)/N=N3)ccc(c8)[N+](=O)[O-])OS(=O)(=O)c9c2c(c(c(c9)O5)/N=N/c3c(ccc4c3cccc4)O6)ccc(c2)[N+](=O)[O-])cc1.C(NCCO)CO.C(NCCO)CO.C(NCCO)CO