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Substance Name: Cuprate(3-), (3-(2-(5-(hydroxy-kappaO)-4-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-2-methylphenyl)diazenyl)-1,5-naphthalenedisulfonato(5-))-, sodium (1:3)
RN: 76359-37-0
InChIKey: FMTJGBWPUSABIY-NCQXEAFNSA-I

Classification Code

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

Molecular Formula

  • C33-H20-Cu-N5-O11-S3.3Na

Molecular Weight

  • 891.259
 
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Names and Synonyms

Synonym

  • EC 616-328-8

Systematic Names

  • Cuprate(3-), (3-((5-(hydroxy-kappaO)-4-((1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo-kappaN1)-2-methylphenyl)azo)-1,5-naphthalenedisulfonato(5-))-, trisodium
  • Cuprate(3-), (3-(2-(5-(hydroxy-kappaO)-4-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-2-methylphenyl)diazenyl)-1,5-naphthalenedisulfonato(5-))-, sodium (1:3)

Registry Numbers

CAS Registry Number

  • 76359-37-0

Other Registry Number

  • 70956-20-6

System Generated Number

  • 0076359370

Molecular Formulas

Molecular Formula

  • C33-H20-Cu-N5-O11-S3.3Na

Molecular Formula Fragments

  • C33-H20-Cu-N5-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H25N5O11S3.Cu.3Na/c1-18-12-27(28(39)17-26(18)36-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)37-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;;;;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;+2;3*+1/p-5/b36-35+,38-37+;;;;

InChIKey

FMTJGBWPUSABIY-NCQXEAFNSA-I

Smiles

Cc1cc\2c3cc1/N=N/c4cc5c6cccc5S(=O)(=O)O[Cu-3]7(O3)(Oc8c9ccc(cc9cc(c8/N=N2)S(=O)(=O)O7)Nc1ccccc1)OS(=O)(=O)c6c4.[Na+].[Na+].[Na+]