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Substance Name: Barium 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)benzenesulphonate
RN: 81064-51-9
InChIKey: WNLDTQRZKHNZHX-VFUQPONKSA-L

Molecular Formula

  • C16-H13-Cl-N4-O4-S.Ba

Molecular Weight

  • 920.9576
 
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Names and Synonyms

Synonym

  • EINECS 279-685-5

Systematic Name

  • Barium 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 81064-51-9

System Generated Number

  • 0081064519

Molecular Formulas

Molecular Formula

  • C16-H13-Cl-N4-O4-S.Ba

Molecular Formula Fragments

  • Ba
  • C16-H13-Cl-N4-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H13ClN4O4S.Ba/c2*1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;/h2*2-9,15H,1H3,(H,23,24,25);/q;;+2/p-2/b2*19-18+;

InChIKey

WNLDTQRZKHNZHX-VFUQPONKSA-L

Smiles

CC1=NN(C(=O)C1/N=N/c2ccccc2)c3c(ccc(c3)S(=O)(=O)[O-])Cl.CC1=NN(C(=O)C1/N=N/c2ccccc2)c3c(ccc(c3)S(=O)(=O)[O-])Cl.[Ba+2]