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Substance Name: 6-Chloro-4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)toluene-3-sulphonic acid, barium salt
RN: 85005-78-3
InChIKey: NWSATOJJZFCNQV-RZLHGTIFSA-L

Molecular Formula

  • C17-H15-Cl-N4-O7-S2.x-Ba

Molecular Weight

  • 622.2257
 
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Names and Synonyms

Synonym

  • EINECS 285-010-5

Systematic Name

  • 6-Chloro-4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)toluene-3-sulphonic acid, barium salt

Registry Numbers

CAS Registry Number

  • 85005-78-3

System Generated Number

  • 0085005783

Molecular Formulas

Molecular Formula

  • C17-H15-Cl-N4-O7-S2.x-Ba

Molecular Formula Fragments

  • Ba
  • C17-H15-Cl-N4-O7-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H15ClN4O7S2.Ba/c1-9-7-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-3-5-12(6-4-11)30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;

InChIKey

NWSATOJJZFCNQV-RZLHGTIFSA-L

Smiles

[Ba+2].CC1=NN(C(=O)C1N=Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c3ccc(cc3)S(=O)(=O)[O-]