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

Systemtic Name: 3-methylsulfonyl-4-(6-oxidanylidene-1-propyl-pyridazin-3-yl)oxy-benzoic acid Openeye Name: 3-methylsulfonyl-4-(6-oxo-1-propyl-pyridazin-3-yl)oxy-benzoic acid CAS Name: 3-methylsulfonyl-4-[(6-oxo-1-propyl-3-pyridazinyl)oxy]benzoic acid IUPAC Name: 3-methylsulfonyl-4-(6-oxo-1-propylpyridazin-3-yl)oxybenzoic acid Traditional Name: 4-(6-keto-1-propyl-pyridazin-3-yl)oxy-3-mesyl-benzoic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C15H16N2O6S/c1-3-8-17-14(18)7-6-13(16-17)23-11-5-4-10(15(19)20)9-12(11)24(2,21)22/h4-7,9H,3,8H2,1-2H3,(H,19,20)