4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-3-methylsulfonyl-benzoic acid Openeye Name: 4-(1-methyl-6-oxo-pyridazin-3-yl)oxy-3-methylsulfonyl-benzoic acid CAS Name: 4-[(1-methyl-6-oxo-3-pyridazinyl)oxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-(1-methyl-6-oxopyridazin-3-yl)oxy-3-methylsulfonylbenzoic acid Traditional Name: 4-(6-keto-1-methyl-pyridazin-3-yl)oxy-3-mesyl-benzoic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H12N2O6S/c1-15-12(16)6-5-11(14-15)21-9-4-3-8(13(17)18)7-10(9)22(2,19)20/h3-7H,1-2H3,(H,17,18)