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Substance Name: Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 84434-48-0
InChIKey: IJEBXJPLSURLAE-QXKJJGPWSA-L

Molecular Formula

  • C21-H18-N4-O8-S2.2Na

Molecular Weight

  • 562.489
 
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Names and Synonyms

Synonym

  • EINECS 282-847-8

Systematic Names

  • Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
  • Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
  • Disodium p-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 84434-48-0

System Generated Number

  • 0084434480

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)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)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

IJEBXJPLSURLAE-QXKJJGPWSA-L

Smiles

[Na+].[Na+].c1(ccc(cc1)N1N=C(\C(C1=O)=C\c1c(nn(c1O)c1ccc(cc1)S(=O)(=O)[O-])C)C)S(=O)(=O)[O-]