ethyl 4-(4-iodophenyl)sulfonyloxy-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(4-iodophenyl)sulfonyloxy-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-iodophenyl)sulfonyloxy-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(4-iodophenyl)sulfonyloxy-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-iodophenyl)sulfonyloxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-iodophenyl)sulfonyloxy-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C20H17IN2O6S MolecularWeight: 540.32825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17IN2O6S/c1-3-28-20(25)19-17(29-30(26,27)15-10-8-14(21)9-11-15)12-18(24)23(22-19)16-7-5-4-6-13(16)2/h4-12H,3H2,1-2H3