RefChem:439033

4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Also Known As: EINECS 249-425-5|1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|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)-|4-[(e)-(2,5-dimethoxy-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylic acid|1H-Pyrazole-3-carboxylic acid, 4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|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)-|2-Pyrazoline-3-carboxylic acid, 4-[[4-[(2-hydroxyethyl)sulfonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(p-sulfophenyl)-, hydrogen sulfate (ester)|4-((4-((2-Hydroxyethyl)sulphonyl)-2,5-dimethoxyphenyl)azo)-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester)|4-({2,5-Dimethoxy-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid|4-(2-{2,5-dimethoxy-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid|4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid|4-[[4-[(2-hydroxyethyl)sulphonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester)|4-[[4-[(2-Sulfooxyethyl)sulfonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid

Molecular Formula	C20H20N4O14S3
Molecular Weight	636.0138 g/mol
LogP	0.48
Topological Polar Surface Area	265.26 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	12
Exact Mass	636.0138
Heavy Atoms	41
Complexity	1752.4

Chemical Identifiers

CAS Number	29092-63-5
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