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Substance Name: EINECS 289-237-0
RN: 86437-49-2
InChIKey: ZHYJIJLYGMEFJV-GZEJJAMTSA-G

Molecular Formula

  • C38-H20-Cu2-N5-O13-S3.3Na

Molecular Weight

  • 1046.858
 
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Names and Synonyms

Results Name

  • EINECS 289-237-0

Synonym

  • EINECS 289-237-0

Systematic Name

  • Trisodium (mu-(4-((4'-((7-anilino-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-3-hydroxynaphthalene-2,7-disulphonato(7-)))dicuprate(3-)

Registry Numbers

CAS Registry Number

  • 86437-49-2

System Generated Number

  • 0086437492

Molecular Formulas

Molecular Formula

  • C38-H20-Cu2-N5-O13-S3.3Na

Molecular Formula Fragments

  • C38-H20-Cu2-N5-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H27N5O13S3.2Cu.3Na/c44-31-15-20(7-12-29(31)40-42-35-27-11-10-26(57(48,49)50)14-23(27)18-34(38(35)47)59(54,55)56)21-8-13-30(32(45)16-21)41-43-36-33(58(51,52)53)17-22-6-9-25(19-28(22)37(36)46)39-24-4-2-1-3-5-24;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7/b42-40+,43-41+;;;;;

InChIKey

ZHYJIJLYGMEFJV-GZEJJAMTSA-G

Smiles

[Na+].[Na+].[Na+].O=S1(=O)O[Cu-]2Oc3cc(ccc3N=Nc4c(O2)c5cc(Nc6ccccc6)ccc5cc14)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12ccc9c(c%12)cc%10S(=O)(=O)O%11