EINECS 258-294-3

trisodium;4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate

Also Known As: EINECS 258-294-3|Trisodium p-(4,5-dihydro-3-methyl-4-(1-methyl-3-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)allylidene)-5-oxo-1H-pyrazol-1-yl)benzenesulphonate|trisodium 4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate|Trisodium p-[4,5-dihydro-3-methyl-4-[1-methyl-3-[3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]allylidene]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate|trisodium,4-[3-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]but-1-enyl]-5-oxidopyrazol-1-yl]benzenesulfonate|trisodiump-[4,5-dihydro-3-methyl-4-[1-methyl-3-[3-methyl-5-oxido-1- -1H-pyrazol-4-yl]allylidene]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

Molecular Formula	C24H19N4Na3O8S2
Molecular Weight	624.03375 g/mol
LogP	-7.17308
Topological Polar Surface Area	187.95 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	624.03375
Monoisotopic Mass	624.03375
Heavy Atoms	41
Complexity	1765.9541

Chemical Identifiers

CAS Number	53014-12-3
SMILES	CC1=NN(C(=C1/C=C/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)/C)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+]