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Substance Name: Cuprate(3-), (2-(2-(1-hydroxy-7-(2-(4-(2-(4-nitro-2-sulfophenyl)ethenyl)-3-sulfophenyl)oxidodiazenyl)-3-sulfo-2-naphthalenyl)diazenyl)benzoato(5-))-, sodium (1:3)
RN: 68647-43-8
InChIKey: DPAZJGUYIBZXGU-MEXOACFASA-I

Molecular Formula

  • C31-H16-Cu-N5-O15-S3.3Na

Molecular Weight

  • 927.2014
 
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Names and Synonyms

Synonym

  • EINECS 271-948-2

Systematic Names

  • Cuprate(3-), (2-((1-hydroxy-7-((4-(2-(4-nitro-2-sulfophenyl)ethenyl)-3-sulfophenyl)azoxy)-3-sulfo-2-naphthalenyl)azo)benzoato(5-))-, trisodium
  • Cuprate(3-), (2-(2-(1-hydroxy-7-(2-(4-(2-(4-nitro-2-sulfophenyl)ethenyl)-3-sulfophenyl)oxidodiazenyl)-3-sulfo-2-naphthalenyl)diazenyl)benzoato(5-))-, sodium (1:3)
  • Trisodium (2-((1-hydroxy-7-((4-(2-(4-nitro-2-sulphophenyl)vinyl)-3-sulphophenyl)azoxy)-3-sulpho-2-naphthyl)azo)benzoato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 68647-43-8

System Generated Number

  • 0068647438

Molecular Formulas

Molecular Formula

  • C31-H16-Cu-N5-O15-S3.3Na

Molecular Formula Fragments

  • C31-H16-Cu-N5-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H21N5O15S3.Cu.3Na/c37-28-22-14-19(10-7-18(22)13-26(53(46,47)48)27(28)35-33-23-4-2-1-3-21(23)31(39)40)32-34-24-12-9-17(30(29(24)38)54(49,50)51)6-5-16-8-11-20(36(41)42)15-25(16)52(43,44)45;;;;/h1-15,37-38H,(H,39,40)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;/q;+2;3*+1/p-5/b6-5+,34-32+,35-33+;;;;

InChIKey

DPAZJGUYIBZXGU-MEXOACFASA-I

Smiles

c1ccc\2c(c1)C(=O)O[Cu-3]345Oc6c(ccc(c6S(=O)(=O)O3)/C=C/c7ccc(cc7S(=O)(=O)O4)[N+](=O)[O-])/N=N/c8ccc9cc(c(c(c9c8)O)/N=N2)S(=O)(=O)O5.[Na+].[Na+].[Na+]