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Substance Name: Cuprate(3-), (5-(acetylamino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, sodium (1:3)
RN: 84082-95-1
InChIKey: WFRBXWWXXOTYFH-HHFSKNRISA-I

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C21-H16-Cu-N3-O15-S4.3Na

Molecular Weight

  • 811.143
 
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Names and Synonyms

Synonym

  • EINECS 282-043-7

Systematic Names

  • Cuprate(3-), (5-(acetylamino)-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(5-))-, trisodium
  • Cuprate(3-), (5-(acetylamino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, sodium (1:3)
  • Trisodium (5-acetamido-4-hydroxy-3-((2-hydroxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3)

Registry Numbers

CAS Registry Number

  • 84082-95-1

System Generated Number

  • 0084082951

Molecular Formulas

Molecular Formula

  • C21-H16-Cu-N3-O15-S4.3Na

Molecular Formula Fragments

  • C21-H16-Cu-N3-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H21N3O15S4.Cu.3Na/c1-10-5-14(16(26)9-17(10)40(28,29)4-3-39-43(36,37)38)23-24-20-18(42(33,34)35)7-12-6-13(41(30,31)32)8-15(22-11(2)25)19(12)21(20)27;;;;/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;3*+1/p-5/b24-23+;;;;

InChIKey

WFRBXWWXXOTYFH-HHFSKNRISA-I

Smiles

[Cu+2].[Na+].c1(cc([O-])c(cc1C)\N=N\c1c(c2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)NC(C)=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]