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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-carboxy-1,5-dihydro-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)-1,3-pentadien-1-yl)-5-hydroxy-1-(4-sulfophenyl)-, potassium salt (1:2)
RN: 51858-17-4
InChIKey: JQARXPHCHCHRBV-SAJZWCDJSA-L

Molecular Formula

  • C25-H18-N4-O12-S2.2K

Molecular Weight

  • 706.745
 
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Names and Synonyms

Synonym

  • EINECS 257-479-6

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-carboxy-1,5-dihydro-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)-1,3-pentadien-1-yl)-5-hydroxy-1-(4-sulfophenyl)-, potassium salt (1:2)
  • 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, dipotassium salt
  • Dipotassium dihydrogen 4-(5-(3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 51858-17-4

System Generated Number

  • 0051858174

Molecular Formulas

Molecular Formula

  • C25-H18-N4-O12-S2.2K

Molecular Formula Fragments

  • C25-H18-N4-O12-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C25H18N4O12S2.2K/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b3-1+,4-2+,19-5-;;

InChIKey

JQARXPHCHCHRBV-SAJZWCDJSA-L

Smiles

[K+].[K+].N1(N=C(\C(C1=O)=C\C=C\C=C\c1c(nn(c1O)c1ccc(cc1)S(=O)(=O)O)C(=O)O)C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]