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Substance Name: Tripotassium p-(4,5-dihydro-3-methyl-4-(5-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
RN: 63811-37-0
InChIKey: HLFYUTAYQZNBGU-FWABMVGRSA-K

Molecular Formula

  • C25-H22-N4-O8-S2.3K

Molecular Weight

  • 684.8711
 
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Names and Synonyms

Synonym

  • EINECS 264-469-5

Systematic Name

  • Tripotassium p-(4,5-dihydro-3-methyl-4-(5-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 63811-37-0

System Generated Number

  • 0063811370

Molecular Formulas

Molecular Formula

  • C25-H22-N4-O8-S2.3K

Molecular Formula Fragments

  • C25-H22-N4-O8-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C25H22N4O8S2.3K/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37;;;/h3-15,30H,1-2H3,(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b5-3+,6-4+,23-7-;;;

InChIKey

HLFYUTAYQZNBGU-FWABMVGRSA-K

Smiles

Cc1c(c(n(n1)c2ccc(cc2)S(=O)(=O)[O-])[O-])/C=C/C=C/C=C\3/C(=NN(C3=O)c4ccc(cc4)S(=O)(=O)[O-])C.[K+].[K+].[K+]