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Substance Name: Trisodium (3-((4-((6-anilino-1-hydroxy-4-sulpho-2-naphthyl)azo)-5-hydroxy-o-tolyl)azo)naphthalene-1,5-disulphonato(5-))cuprate(3-)
RN: 74664-50-9
InChIKey: XJMNDVRWXFJARM-VRYWCDKHSA-I

Molecular Formula

  • C33-H20-Cu-N5-O11-S3.3Na

Molecular Weight

  • 891.259
 
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Names and Synonyms

Synonym

  • EINECS 277-955-7

Systematic Name

  • Trisodium (3-((4-((6-anilino-1-hydroxy-4-sulpho-2-naphthyl)azo)-5-hydroxy-o-tolyl)azo)naphthalene-1,5-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 74664-50-9

System Generated Number

  • 0074664509

Molecular Formulas

Molecular Formula

  • C33-H20-Cu-N5-O11-S3.3Na

Molecular Formula Fragments

  • C33-H20-Cu-N5-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H25N5O11S3.Cu.3Na/c1-18-12-27(29(39)16-26(18)36-35-21-14-24-22(31(15-21)51(44,45)46)8-5-9-30(24)50(41,42)43)37-38-28-17-32(52(47,48)49)25-13-20(10-11-23(25)33(28)40)34-19-6-3-2-4-7-19;;;;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;+2;3*+1/p-5/b36-35-,38-37-;;;;

InChIKey

XJMNDVRWXFJARM-VRYWCDKHSA-I

Smiles

[Na+].[Na+].[Na+].Cc1cc2N=Nc3cc4c5cc(Nc6ccccc6)ccc5c3O[Cu-3]78(Oc2cc1N=Nc9cc(c%10cccc(c%10c9)S(=O)(=O)O7)S(=O)(=O)O8)OS4(=O)=O