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Substance Name: EINECS 289-534-5
RN: 89899-28-5
InChIKey: CCJRXQAWBWGAJV-CDEJRQRBSA-G

Molecular Formula

  • C39-H20-Cu2-N5-O14-S3.3Na

Molecular Weight

  • 1074.868
 
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Names and Synonyms

Results Name

  • EINECS 289-534-5

Synonym

  • EINECS 289-534-5

Systematic Name

  • Trisodium (-(8-((4'-((6-benzamido-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonato(7-)))dicuprate(3-)

Registry Numbers

CAS Registry Number

  • 89899-28-5

System Generated Number

  • 0089899285

Molecular Formulas

Molecular Formula

  • C39-H20-Cu2-N5-O14-S3.3Na

Molecular Formula Fragments

  • C39-H20-Cu2-N5-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H27N5O14S3.2Cu.3Na/c45-30-13-8-23-15-26(59(50,51)52)19-33(60(53,54)55)35(23)36(30)43-41-28-11-6-21(16-31(28)46)22-7-12-29(32(47)17-22)42-44-37-34(61(56,57)58)18-24-14-25(9-10-27(24)38(37)48)40-39(49)20-4-2-1-3-5-20;;;;;/h1-19,45-48H,(H,40,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;/q;2*+2;3*+1/p-7/b43-41+,44-42+;;;;;

InChIKey

CCJRXQAWBWGAJV-CDEJRQRBSA-G

Smiles

[Na+].[Na+].[Na+].O=C(Nc1ccc2c3O[Cu-]4Oc5cc(ccc5N=Nc3c(cc2c1)S(=O)(=O)O4)c6ccc7N=Nc8c9O[Cu-2]%10(Oc7c6)OS(=O)(=O)c%11cc(c8c(cc9)c%11)S(=O)(=O)O%10)c%12ccccc%12