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Substance Name: 4-((4-((3-(4,5-Dichloro-6-oxo-6H-pyridazin-1-yl)propionyl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
RN: 85959-08-6
InChIKey: VKMVLEKLTORGGO-IAXIIBAVSA-K

Molecular Formula

  • C23-H17-Cl2-N7-O11-S2.x-Na

Molecular Weight

  • 768.4096
 
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Names and Synonyms

Synonym

  • EINECS 288-998-6

Systematic Name

  • 4-((4-((3-(4,5-Dichloro-6-oxo-6H-pyridazin-1-yl)propionyl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85959-08-6

System Generated Number

  • 0085959086

Molecular Formulas

Molecular Formula

  • C23-H17-Cl2-N7-O11-S2.x-Na

Molecular Formula Fragments

  • C23-H17-Cl2-N7-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H17Cl2N7O11S2.3Na/c24-14-10-26-31(21(34)18(14)25)8-7-17(33)27-11-1-6-15(16(9-11)45(41,42)43)28-29-19-20(23(36)37)30-32(22(19)35)12-2-4-13(5-3-12)44(38,39)40;;;/h1-6,9-10,19H,7-8H2,(H,27,33)(H,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3/b29-28+;;;

InChIKey

VKMVLEKLTORGGO-IAXIIBAVSA-K

Smiles

c1cc(ccc1N2C(=O)C(C(=N2)C(=O)[O-])/N=N/c3ccc(cc3S(=O)(=O)[O-])NC(=O)CCn4c(=O)c(c(cn4)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]