RefChem:564504

4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

Also Known As: EINECS 251-848-5|Benzenesulfonic acid, 4-[4-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-|4-(3-methyl-4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid|4-[3-methyl-4-[(E)-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

Molecular Formula	C21H18N4O8S2
Molecular Weight	518.0566 g/mol
LogP	1.87
Topological Polar Surface Area	174.08 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	518.0566
Heavy Atoms	35
Complexity	1541.2

Chemical Identifiers

CAS Number	34142-26-2
SMILES	CC1=NN(C(=O)C1C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C4=CC=C(C=C4)S(=O)(=O)O