CAS Registry Number®
82469-76-9
CAS Name
Benzoic acid, 2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, barium salt (1:1)
Molecular Formula
C17H14N4O6S.Ba
Molecular Mass
539.71
Other Names and Identifiers
InChI
InChI=1S/C17H14N4O6S.Ba/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);
InChIKey
InChIKey=KPQGXPFEGBFMLX-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C)C1N=NC2=C(C(O)=O)C=CC=C2)C3=CC=C(S(=O)(=O)O)C=C3.[Ba]
Canonical SMILES
[Ba].O=C(O)C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O
Other Names for this Substance
- Benzoic acid, 2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, barium salt (1:1)
- Benzoic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-, barium salt (1:1)
