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Substance Name: 4-((5-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, potassium sodium salt
RN: 85631-78-3
InChIKey: UMAVDFPERQLPDD-YOYNBWDYSA-N

Molecular Formula

  • C19-H12-Cl2-N8-O9-S2.x-K.x-Na

Molecular Weight

  • 693.4768
 
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Names and Synonyms

Synonym

  • EINECS 288-027-6

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85631-78-3

System Generated Number

  • 0085631783

Molecular Formulas

Molecular Formula

  • C19-H12-Cl2-N8-O9-S2.x-K.x-Na

Molecular Formula Fragments

  • C19-H12-Cl2-N8-O9-S2
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C19H12Cl2N8O9S2.K.Na/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;/q;2*+1/b27-26+;;

InChIKey

UMAVDFPERQLPDD-YOYNBWDYSA-N

Smiles

[Na+].[K+].OC(=O)C1=NN(C(=O)C1N=Nc2cc(Nc3nc(Cl)nc(Cl)n3)ccc2S(=O)(=O)O)c4ccc(cc4)S(=O)(=O)O