ethyl 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H16ClF3N2O6S MolecularWeight: 516.87475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=CC=C3C

InChI

InChI=1S/C21H16ClF3N2O6S/c1-3-32-20(29)19-16(11-18(28)27(26-19)15-7-5-4-6-12(15)2)33-34(30,31)17-10-13(21(23,24)25)8-9-14(17)22/h4-11H,3H2,1-2H3