AC1MIH78

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

Also Known As: EINECS 306-847-5|Tripotassium 4,5-dihydro-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate|TRIPOTASSIUM 4,5-DIHYDRO-4-[[2-METHOXY-5-[[2-(SULPHONATOOXY)ETHYL]SULPHONYL]PHENYL]AZO]-5-OXO-1-(4-SULPHONATOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-, potassium salt (1:3)|4,5-Dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid tripotassium salt|tripotassium 4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

Molecular Formula	C19H15K3N4O13S3
Molecular Weight	719.8709 g/mol
LogP	-10.5332
Topological Polar Surface Area	264.52 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	719.8709
Monoisotopic Mass	719.8709
Heavy Atoms	42
Complexity	1699.6039

Chemical Identifiers

CAS Number	97416-97-2
SMILES	COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[K+].[K+].[K+]