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Substance Name: 3-((4,5-Dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)naphthalene-1,5-disulphonic acid, barium salt
RN: 84029-82-3
InChIKey: YYADOKXBQTZIFX-QUABFQRHSA-N

Molecular Formula

  • C20-H16-N4-O10-S3.x-Ba

Molecular Weight

  • 705.8924
 
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Names and Synonyms

Synonym

  • EINECS 281-752-9

Systematic Name

  • 3-((4,5-Dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)naphthalene-1,5-disulphonic acid, barium salt

Registry Numbers

CAS Registry Number

  • 84029-82-3

System Generated Number

  • 0084029823

Molecular Formulas

Molecular Formula

  • C20-H16-N4-O10-S3.x-Ba

Molecular Formula Fragments

  • Ba
  • C20-H16-N4-O10-S3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H16N4O10S3.Ba/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31;/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);/q;+2/b22-21+;

InChIKey

YYADOKXBQTZIFX-QUABFQRHSA-N

Smiles

CC1=NN(C(=O)C1/N=N/c2cc3c(cccc3S(=O)(=O)O)c(c2)S(=O)(=O)O)c4ccc(cc4)S(=O)(=O)O.[Ba+2]