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Substance Name: Cuprate(3-), (5-(acetylamino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-methoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3)
RN: 23658-54-0
InChIKey: CELYEORMNWSCCY-XMXXDQCKSA-L

Molecular Formula

  • C21-H16-Cu-N3-O16-S4.3H

Molecular Weight

  • 761.1961
 
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Names and Synonyms

Synonym

  • (Dihydrogen 5-acetamido-4-hydroxy-3-((2-hydroxy-4-((2-hydroxyethyl)sulfonyl)-5-methoxyphenyl)azo)-2,7-naphthalenedisulfonato(2-))copper, mono(hydrogen sulfate) (ester)

Systematic Names

  • Cuprate(3-), (5-(acetylamino)-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-methoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(5-))-, trihydrogen
  • Cuprate(3-), (5-(acetylamino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-methoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3)

Registry Numbers

CAS Registry Number

  • 23658-54-0

Other Registry Number

  • 22095-96-1

System Generated Number

  • 0023658540

Molecular Formulas

Molecular Formula

  • C21-H16-Cu-N3-O16-S4.3H

Molecular Formula Fragments

  • C21-H16-Cu-N3-O16-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C21H21N3O16S4.Cu/c1-10(25)22-14-7-12(42(30,31)32)5-11-6-18(43(33,34)35)20(21(27)19(11)14)24-23-13-8-16(39-2)17(9-15(13)26)41(28,29)4-3-40-44(36,37)38;/h5-9,26-27H,3-4H2,1-2H3,(H,22,25)(H,30,31,32)(H,33,34,35)(H,36,37,38);/q;+2/p-2/b24-23+;

InChIKey

CELYEORMNWSCCY-XMXXDQCKSA-L

Smiles

[H+].[H+].[H+].CC(=O)Nc1cc2cc3c1c4c\5c(c3)S(=O)(=O)O[Cu-3]6(O4)(Oc7cc(c(cc7/N=N5)OC)S(=O)(=O)CCOS(=O)(=O)O6)OS2(=O)=O