5-methylsulfonyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-2-propan-2-yl-benzoic acid

Systemtic Name: 5-methylsulfonyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-2-propan-2-yl-benzoic acid Openeye Name: 2-isopropyl-5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]benzoic acid CAS Name: 5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-2-propan-2-ylbenzoic acid IUPAC Name: 5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-2-propan-2-ylbenzoic acid Traditional Name: 2-isopropyl-4-[(6-keto-1H-pyridazin-3-yl)oxy]-5-mesyl-benzoic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=NNC(=O)C=C2

Isomeric SMILES

CC(C)C1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=NNC(=O)C=C2

InChI

InChI=1S/C15H16N2O6S/c1-8(2)9-6-11(23-14-5-4-13(18)16-17-14)12(24(3,21)22)7-10(9)15(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20)