methyl 2-methyl-5-methylsulfonyl-4-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-(6-oxo-1H-pyridazin-3-yl)benzoate Traditional Name: 4-(6-keto-1H-pyridazin-3-yl)-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=NNC(=O)C=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=NNC(=O)C=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C14H14N2O5S/c1-8-6-10(11-4-5-13(17)16-15-11)12(22(3,19)20)7-9(8)14(18)21-2/h4-7H,1-3H3,(H,16,17)