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Substance Name: Disodium m-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
RN: 84100-35-6
InChIKey: CFGLEQQCHNCICA-QXKJJGPWSA-L

Molecular Formula

  • C21-H18-N4-O8-S2.2Na

Molecular Weight

  • 562.4894
 
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Names and Synonyms

Synonym

  • EINECS 282-116-3

Systematic Name

  • Disodium m-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 84100-35-6

System Generated Number

  • 0084100356

Molecular Formulas

Molecular Formula

  • C21-H18-N4-O8-S2.2Na

Molecular Formula Fragments

  • C21-H18-N4-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-5-3-7-16(9-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-6-4-8-17(10-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b19-11-;;

InChIKey

CFGLEQQCHNCICA-QXKJJGPWSA-L

Smiles

Cc1c(c(n(n1)c2cccc(c2)S(=O)(=O)[O-])O)/C=C\3/C(=NN(C3=O)c4cccc(c4)S(=O)(=O)[O-])C.[Na+].[Na+]