ethyl 1-(3-bromophenyl)-6-oxidanylidene-4-(2,4,6-trimethylphenyl)sulfonyloxy-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-6-oxidanylidene-4-(2,4,6-trimethylphenyl)sulfonyloxy-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6-oxo-4-(2,4,6-trimethylphenyl)sulfonyloxy-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-6-oxo-4-(2,4,6-trimethylphenyl)sulfonyloxy-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6-oxo-4-(2,4,6-trimethylphenyl)sulfonyloxypyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-mesitylsulfonyloxy-pyridazine-3-carboxylic acid ethyl ester Formula: C22H21BrN2O6S MolecularWeight: 521.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O6S/c1-5-30-22(27)20-18(12-19(26)25(24-20)17-8-6-7-16(23)11-17)31-32(28,29)21-14(3)9-13(2)10-15(21)4/h6-12H,5H2,1-4H3