RefChem:512949

4-[3-[5-carboxy-2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrazole-3-carboxylic acid

Also Known As: EINECS 262-220-5|Silane,2-butene-1,4-diylbis[dimethylphenyl|4-(3-(3-Carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide|4-[3-(3-carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene]-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide|262-220-5|4-(3-(3-Carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allyliden)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)|4-[3-[3-carboxy-1-(1,1-dioxothiolan-3-yl)-5-oxo-2H-pyrazol-4-yl]prop-2-enylidene]-1-(1,1-dioxothiolan-3-yl)-5-oxo-pyrazole-3-carboxylic acid|4-[3-[5-carboxy-2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrazole-3-carboxylic acid|4-{3-[3-carboxy-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-oxo-1,5-dihydro-4h-pyrazol-4-ylidene]prop-1-en-1-yl}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-oxo-2,5-dihydro-1h-pyrazole-3-carboxylic acid|4-{3-[3-Carboxy-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

Molecular Formula	C19H20N4O10S2
Molecular Weight	528.0621 g/mol
LogP	-1.36
Topological Polar Surface Area	213.34 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	528.0621
Heavy Atoms	35
Complexity	1493.7

Chemical Identifiers

CAS Number	60404-77-5
SMILES	C1CS(=O)(=O)CC1N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4CCS(=O)(=O)C4)C(=O)O