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Substance Name: Trisodium (4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)naphthalene-2,7-disulphonato(5-))cuprate(3-)
RN: 93982-82-2
InChIKey: IQGGLULWIUXSOL-JSQOADTBSA-I

Molecular Formula

  • C20-H7-Cl3-Cu-N5-O11-S3.3Na

Molecular Weight

  • 828.3723
 
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Names and Synonyms

Synonym

  • EINECS 301-270-5

Systematic Name

  • Trisodium (4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)naphthalene-2,7-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 93982-82-2

System Generated Number

  • 0093982822

Molecular Formulas

Molecular Formula

  • C20-H7-Cl3-Cu-N5-O11-S3.3Na

Molecular Formula Fragments

  • C20-H7-Cl3-Cu-N5-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H12Cl3N5O11S3.Cu.3Na/c21-15-18(22)25-20(23)26-19(15)24-11-6-9(41(34,35)36)3-7-4-13(42(37,38)39)16(17(30)14(7)11)28-27-10-5-8(40(31,32)33)1-2-12(10)29;;;;/h1-6,29-30H,(H,24,25,26)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;+2;3*+1/p-5/b28-27+;;;;

InChIKey

IQGGLULWIUXSOL-JSQOADTBSA-I

Smiles

c1cc2c\3cc1S(=O)(=O)O[Cu-3]45(O2)Oc6c7c(cc(cc7Nc8c(c(nc(n8)Cl)Cl)Cl)S(=O)(=O)O4)cc(c6/N=N3)S(=O)(=O)O5.[Na+].[Na+].[Na+]