AC1L5B8R

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

Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt|5-bromo-2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran|1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:?)|1H-Pyrazole-3-carboxylic acid, 4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (sodium salt)|1H-Pyrazole-3-carboxylic acid, 4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt|4-((2,5-Dimethoxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt|4-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt|trisodium 4-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate|trisodium,4-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

Molecular Formula	C20H17N4Na3O14S3
Molecular Weight	701.95966 g/mol
LogP	-10.5246
Topological Polar Surface Area	299.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	17
Rotatable Bonds	9
Exact Mass	701.95966
Monoisotopic Mass	701.95966
Heavy Atoms	44
Complexity	1320.0

Chemical Identifiers

CAS Number	85536-88-5
SMILES	COC1=CC(=C(C=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])OC)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	DOBSNRLRWWJBIU-UHFFFAOYSA-K