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Substance Name: Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate
RN: 79135-94-7
InChIKey: HBLOCACVACHTGZ-NFOZGECASA-L

Molecular Formula

  • C21-H15-Cl2-F2-N7-O7-S2.2K

Molecular Weight

  • 726.6057
 
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Names and Synonyms

Synonym

  • EINECS 279-095-8

Systematic Name

  • Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate

Registry Numbers

CAS Registry Number

  • 79135-94-7

System Generated Number

  • 0079135947

Molecular Formulas

Molecular Formula

  • C21-H15-Cl2-F2-N7-O7-S2.2K

Molecular Formula Fragments

  • C21-H15-Cl2-F2-N7-O7-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C21H15Cl2F2N7O7S2.2K/c1-8-5-15(41(37,38)39)13(7-12(8)26-19-16(23)18(24)27-21(25)28-19)29-30-17-9(2)31-32(20(17)33)10-3-4-14(11(22)6-10)40(34,35)36;;/h3-7,17H,1-2H3,(H,26,27,28)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b30-29+;;

InChIKey

HBLOCACVACHTGZ-NFOZGECASA-L

Smiles

Cc1cc(c(cc1Nc2c(c(nc(n2)F)F)Cl)/N=N/C3C(=NN(C3=O)c4ccc(c(c4)Cl)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[K+].[K+]