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Substance Name: EINECS 304-408-2
RN: 94266-02-1
InChIKey: VNXBSBGKQQLIQH-QXKJJGPWSA-L

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C21-H18-N4-O8-S2.2K

Molecular Weight

  • 594.705
 
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Names and Synonyms

Results Name

  • EINECS 304-408-2

Synonym

  • EINECS 304-408-2

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)-, dipotassium 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)-, potassium salt (1:2)
  • Dipotassium 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

  • 94266-02-1

System Generated Number

  • 0094266021

Molecular Formulas

Molecular Formula

  • C21-H18-N4-O8-S2.2K

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C21H18N4O8S2.2K/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

VNXBSBGKQQLIQH-QXKJJGPWSA-L

Smiles

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