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Substance Name: Disodium (4-(4,5-dihydro-4-((2-hydroxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(4-))cuprate(2-)
RN: 54227-68-8
InChIKey: DHYHXJDSZBMAJF-HVARVCSCSA-K

Molecular Formulas

  • C18-H14-Cu-N4-O11-S3.2Na
  • C18-H16-Cu-N4-O11-S3.2Na

Molecular Weight

  • 668.0496
 
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Names and Synonyms

Synonym

  • EINECS 259-032-0

Systematic Names

  • Copper, (4-(4,5-dihydro-4-((2-hydroxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonato(2-))-, disodium salt
  • Disodium (4-(4,5-dihydro-4-((2-hydroxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(4-))cuprate(2-)

Registry Numbers

CAS Registry Number

  • 54227-68-8

System Generated Number

  • 0054227688

Molecular Formulas

Molecular Formulas

  • C18-H14-Cu-N4-O11-S3.2Na
  • C18-H16-Cu-N4-O11-S3.2Na

Molecular Formula Fragments

  • C18-H14-Cu-N4-O11-S3
  • C18-H16-Cu-N4-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H17N4O11S3.Cu.2Na/c1-11-17(18(24)22(21-11)12-2-4-13(5-3-12)35(27,28)29)20-19-15-10-14(6-7-16(15)23)34(25,26)9-8-33-36(30,31)32;;;/h2-7,10,23H,8-9H2,1H3,(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b20-19+;;;

InChIKey

DHYHXJDSZBMAJF-HVARVCSCSA-K

Smiles

CC1=NN2c3ccc(cc3)S(=O)(=O)O[Cu-2]45C1(C2=O)N=Nc6cc(ccc6O4)S(=O)(=O)CCOS(=O)(=O)O5.[Na+].[Na+]