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Substance Name: Dihydrogen (3-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonato(4-))cuprate(2-)
RN: 67689-48-9
InChIKey: RVWYOBYYJLDGQV-BLTQDSCZSA-M

Molecular Formula

  • C18-H14-Cu-N4-O11-S3.2H

Molecular Weight

  • 624.085
 
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Names and Synonyms

Synonym

  • EINECS 266-904-4

Systematic Name

  • Dihydrogen (3-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonato(4-))cuprate(2-)

Registry Numbers

CAS Registry Number

  • 67689-48-9

System Generated Number

  • 0067689489

Molecular Formulas

Molecular Formula

  • C18-H14-Cu-N4-O11-S3.2H

Molecular Formula Fragments

  • C18-H14-Cu-N4-O11-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C18H17N4O11S3.Cu/c1-11-17(20-19-15-10-14(35(27,28)29)6-7-16(15)23)18(24)22(21-11)12-2-4-13(5-3-12)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-1;+2/p-1/b20-19-;

InChIKey

RVWYOBYYJLDGQV-BLTQDSCZSA-M

Smiles

[Cu+2].S(=O)(=O)(c1ccc(c(c1)\N=N/[C@@-]1C(=NN(C1=O)c1ccc(cc1)S(=O)(CCOS([O-])(=O)=O)=O)C)[O-])[O-]