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Substance Name: EINECS 278-174-4
RN: 75284-35-4
InChIKey: BIFGPVXQNPUMCQ-CDEJRQRBSA-G

Molecular Formula

  • C39-H20-Cu2-N5-O15-S3.3Na

Molecular Weight

  • 1090.867
 
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Names and Synonyms

Results Name

  • EINECS 278-174-4

Synonym

  • EINECS 278-174-4

Systematic Names

  • Cuprate(3-), (mu-(3-((4'-((6-(benzoylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodium
  • Cuprate(3-), (mu-(3-((4'-((6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4,5-dihydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodium
  • Cuprate(3-), (mu-(3-(2-(4'-(2-(6-(benzoylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3)
  • Trisodium (mu-(3-((4'-((6-benzamido-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4,5-dihydroxynaphthalene-2,7-disulphonato(7-)))dicuprate(3-)

Registry Numbers

CAS Registry Number

  • 75284-35-4

System Generated Number

  • 0075284354

Molecular Formulas

Molecular Formula

  • C39-H20-Cu2-N5-O15-S3.3Na

Molecular Formula Fragments

  • C39-H20-Cu2-N5-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H27N5O15S3.2Cu.3Na/c45-29-14-20(21-7-11-28(30(46)15-21)42-44-36-33(62(57,58)59)17-23-13-25(60(51,52)53)18-31(47)34(23)38(36)49)6-10-27(29)41-43-35-32(61(54,55)56)16-22-12-24(8-9-26(22)37(35)48)40-39(50)19-4-2-1-3-5-19;;;;;/h1-18,45-49H,(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;/q;2*+2;3*+1/p-7/b43-41+,44-42+;;;;;

InChIKey

BIFGPVXQNPUMCQ-CDEJRQRBSA-G

Smiles

[Na+].[Na+].[Na+].Oc1cc2cc3cc4c5N=Nc6ccc(cc6O[Cu-2](Oc5c13)(OS2(=O)=O)OS4(=O)=O)c7ccc8N=Nc9c%10O[Cu-](Oc8c7)OS(=O)(=O)c9cc%11cc(NC(=O)c%12ccccc%12)ccc%10%11