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Substance Name: Cuprate(5-), (2-(4-(2-(4-((3-hydroxy-4-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-2H-naphtho(1,2-d)triazole-5-sulfonato(7-))-, pentasodium
RN: 83232-56-8
InChIKey: DWZBPEDYCSXGJT-TWQLSHNYSA-G

Molecular Formula

  • C50-H27-Cu-N8-O17-S5.5Na

Molecular Weight

  • 1350.6283
 
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Names and Synonyms

Synonym

  • EINECS 280-291-0

Systematic Name

  • Cuprate(5-), (2-(4-(2-(4-((3-hydroxy-4-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-2H-naphtho(1,2-d)triazole-5-sulfonato(7-))-, pentasodium

Registry Numbers

CAS Registry Number

  • 83232-56-8

System Generated Number

  • 0083232568

Molecular Formulas

Molecular Formula

  • C50-H27-Cu-N8-O17-S5.5Na

Molecular Formula Fragments

  • C50-H27-Cu-N8-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C50H34N8O17S5.Cu.5Na/c59-42-25-40(39-24-34(76(61,62)63)17-19-38(39)48(42)54-55-49-46(80(73,74)75)21-29-20-31(15-18-35(29)50(49)60)51-30-6-2-1-3-7-30)53-52-32-14-12-27(43(22-32)77(64,65)66)10-11-28-13-16-33(23-44(28)78(67,68)69)58-56-41-26-45(79(70,71)72)36-8-4-5-9-37(36)47(41)57-58;;;;;;/h1-26,51,59-60H,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75);;;;;;/q;+2;5*+1/p-7/b11-10+,53-52+,55-54+;;;;;;

InChIKey

DWZBPEDYCSXGJT-TWQLSHNYSA-G

Smiles

c1ccc(cc1)Nc2ccc3c(c2)cc4c\5c3O[Cu-5]6789(Oc1cc(c2cc(ccc2c1/N=N5)S(=O)(=O)O6)/N=N/c1ccc(c(c1)S(=O)(=O)O7)/C=C/c1ccc(cc1S(=O)(=O)O8)-n1nc2cc(c3ccccc3c2n1)S(=O)(=O)O9)OS4(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]