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Substance Name: Trisodium (7-((4-chloro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)naphthalene-2-sulphonato(5-))cuprate(3-)
RN: 94276-75-2
InChIKey: BKUOYPKPPQCIHX-QKELVUDESA-I

Molecular Formula

  • C26-H15-Cl-Cu-N7-O11-S3.3Na

Molecular Weight

  • 865.6095
 
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Names and Synonyms

Synonym

  • EINECS 304-561-5

Systematic Name

  • Trisodium (7-((4-chloro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)naphthalene-2-sulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 94276-75-2

System Generated Number

  • 0094276752

Molecular Formulas

Molecular Formula

  • C26-H15-Cl-Cu-N7-O11-S3.3Na

Molecular Formula Fragments

  • C26-H15-Cl-Cu-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H20ClN7O11S3.Cu.3Na/c1-34(26-30-24(27)29-25(31-26)28-17-4-2-3-5-20(17)47(40,41)42)14-6-8-16-13(10-14)11-21(48(43,44)45)22(23(16)36)33-32-18-12-15(46(37,38)39)7-9-19(18)35;;;;/h2-12,35-36H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,28,29,30,31);;;;/q;+2;3*+1/p-5/b33-32+;;;;

InChIKey

BKUOYPKPPQCIHX-QKELVUDESA-I

Smiles

CN1c2ccc3c(c2)cc4c\5c3O[Cu-3]6(Oc7ccc(cc7/N=N5)S(=O)(=O)O6)(OS(=O)(=O)c8ccccc8Nc9nc1nc(n9)Cl)OS4(=O)=O.[Na+].[Na+].[Na+]