RefChem:439018

trisodium;5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

Also Known As: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1-(4-sulfophenyl)-, sodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-, sodium salt (1:?)|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-, sodium salt|4,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt|4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt|4,5-Dihydro-5-oxo-4-4-2-(sulphooxy)ethylsulphonylphenylazo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid ( sodium salt)|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-, sodium salt (1:?)|287-722-1|Trisodium 5-oxo-4-((4-((2-(sulfonatooxy)ethyl)sulfonyl)phenyl)diazenyl)-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate|trisodium 5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

Molecular Formula	C18H13N4Na3O12S3
Molecular Weight	641.93854 g/mol
LogP	-10.5418
Topological Polar Surface Area	280.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	15
Rotatable Bonds	7
Exact Mass	641.93854
Monoisotopic Mass	641.93854
Heavy Atoms	40
Complexity	1210.0

Chemical Identifiers

CAS Number	24199-80-2
SMILES	C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	KXTIQKNSPYHWHZ-UHFFFAOYSA-K