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Substance Name: Trisodium (7-((4'-((6-anilino-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-3'-methoxy(1,1'-biphenyl)-4-yl)azo)-8-hydroxynaphthalene-1,6-disulphonato(5-))cuprate(3-)
RN: 83232-52-4
InChIKey: RRKUJRMUYUAZEX-MOTLEXMESA-I

Molecular Formula

  • C39-H24-Cu-N5-O13-S3.3Na

Molecular Weight

  • 999.3546
 
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Names and Synonyms

Synonym

  • EINECS 280-286-3

Systematic Names

  • Cuprate(3-), (8-hydroxy-7-((3-hydroxy-4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-3'-methoxy(1,1'-biphenyl)-4-yl)azo)-1,6-naphthalenedisulfonato(5-))-, trisodium
  • Trisodium (7-((4'-((6-anilino-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-3'-methoxy(1,1'-biphenyl)-4-yl)azo)-8-hydroxynaphthalene-1,6-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 83232-52-4

System Generated Number

  • 0083232524

Molecular Formulas

Molecular Formula

  • C39-H24-Cu-N5-O13-S3.3Na

Molecular Formula Fragments

  • C39-H24-Cu-N5-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H29N5O13S3.Cu.3Na/c1-57-31-18-22(11-15-29(31)42-43-36-34(60(54,55)56)20-24-16-26(12-13-27(24)38(36)46)40-25-7-3-2-4-8-25)21-10-14-28(30(45)17-21)41-44-37-33(59(51,52)53)19-23-6-5-9-32(58(48,49)50)35(23)39(37)47;;;;/h2-20,40,45-47H,1H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;+2;3*+1/p-5/b43-42+,44-41+;;;;

InChIKey

RRKUJRMUYUAZEX-MOTLEXMESA-I

Smiles

COc1cc-2ccc1/N=N/c3c4cc5cc(ccc5c3O[Cu-3]67(Oc8c9c(cccc9S(=O)(=O)O6)cc(c8/N=N/c1ccc2cc1O)S(=O)(=O)O7)OS4(=O)=O)Nc1ccccc1.[Na+].[Na+].[Na+]