EINECS 261-438-8

2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[3-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Also Known As: EINECS 261-438-8|2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[3-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid|5-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxybenzenesulphonic acid|Benzenesulfonic acid, 5-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxy-|Benzenesulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-2,4-dimethoxy-

Molecular Formula	C20H22N4O12S3
Molecular Weight	606.0396 g/mol
LogP	1.42
Topological Polar Surface Area	227.96 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	606.0396
Heavy Atoms	39
Complexity	1669.2

Chemical Identifiers

CAS Number	58779-19-4
SMILES	CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)OC)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)O