RefChem:285415

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

Also Known As: EINECS 244-146-5|4,5-Dihydro-4-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid|4,5-Dihydro-4-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid|4,5-Dihydro-4-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2- ethyl]sulphonyl]phenyl]azo]-5-oxo-1- -1H-pyrazole-3-carboxylicacid|4,5-DIHYDRO-4-[[2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHENYL]AZO]-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID|4-(2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid|4-[2-Methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Molecular Formula	C20H20N4O13S3
Molecular Weight	620.0189 g/mol
LogP	0.78
Topological Polar Surface Area	256.03 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	620.0189
Heavy Atoms	40
Complexity	1733.9

Chemical Identifiers

CAS Number	21016-00-2
SMILES	CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O