RefChem:528524

2-hydroxy-5-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-sulfophenyl]sulfonylbenzoic acid

Also Known As: EINECS 228-258-1|5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl)sulphonyl)salicylic acid|2-hydroxy-5-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-sulfophenyl]sulfonylbenzoic acid|5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid|5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl]sulphonyl]salicylic acid|2-hydroxy-5-{[2-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)-4-sulfophenyl]sulfonyl}benzoic acid|Benzoic acid, 5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxy-|5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)salicylic acid|Salicylic acid, 5-[[2-(3-methyl-5-oxo-2-pyrazolin-1-yl)-4-sulfophenyl]sulfonyl]-|2-Hydroxy-5-[2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-sulfobenzene-1-sulfonyl]benzoic acid|2-hydroxy-5-[2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-sulfobenzenesulfonyl]benzoic acid|228-258-1|5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)-2-hydroxybenzoic acid|Benzoic acid, 5-((2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)-2-hydroxy-|Benzoic acid,5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxy-

Molecular Formula	C17H14N2O9S2
Molecular Weight	454.01407 g/mol
LogP	1.28
Topological Polar Surface Area	178.71 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	454.01407
Heavy Atoms	30
Complexity	1329.0

Chemical Identifiers

CAS Number	6201-75-8
SMILES	CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O