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Substance Name: EINECS 236-993-4
RN: 13569-92-1
InChIKey: XVYJREIPXSNSQK-YVPKWBBTSA-F

Molecular Formula

  • C32-H14-Cu2-N4-O18-S4.4Na

Molecular Weight

  • 1089.7886
 
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Names and Synonyms

Results Name

  • EINECS 236-993-4

Synonym

  • EINECS 236-993-4

Systematic Name

  • Tetrasodium (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4,5-dihydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 13569-92-1

System Generated Number

  • 0013569921

Molecular Formulas

Molecular Formula

  • C32-H14-Cu2-N4-O18-S4.4Na

Molecular Formula Fragments

  • C32-H14-Cu2-N4-O18-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H22N4O18S4.2Cu.4Na/c37-21-7-13(1-3-19(21)33-35-29-25(57(49,50)51)9-15-5-17(55(43,44)45)11-23(39)27(15)31(29)41)14-2-4-20(22(38)8-14)34-36-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-24(40)28(16)32(30)42;;;;;;/h1-12,37-42H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+;;;;;;

InChIKey

XVYJREIPXSNSQK-YVPKWBBTSA-F

Smiles

[Na+].[Na+].[Na+].[Na+].Oc1cc2cc3cc4c5N=Nc6ccc(cc6O[Cu-2](Oc5c13)(OS2(=O)=O)OS4(=O)=O)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12cc(O)c%10c(c%12)cc9S(=O)(=O)O%11