2-[1-(4-fluorophenyl)-5-(3-methyl-3-oxidanyl-butoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfinate

Systemtic Name: 2-[1-(4-fluorophenyl)-5-(3-methyl-3-oxidanyl-butoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfinate Openeye Name: 2-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methyl-butoxy)-6-oxo-pyridazin-4-yl]benzenesulfinate CAS Name: 2-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methylbutoxy)-6-oxo-4-pyridazinyl]benzenesulfinate IUPAC Name: 2-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methylbutoxy)-6-oxopyridazin-4-yl]benzenesulfinate Traditional Name: 2-[1-(4-fluorophenyl)-5-(3-hydroxy-3-methyl-butoxy)-6-keto-pyridazin-4-yl]benzenesulfinate Formula: C21H20FN2O5S- MolecularWeight: 431.457303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3S(=O)[O-])O

Isomeric SMILES

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3S(=O)[O-])O

InChI

InChI=1S/C21H21FN2O5S/c1-21(2,26)11-12-29-19-17(16-5-3-4-6-18(16)30(27)28)13-23-24(20(19)25)15-9-7-14(22)8-10-15/h3-10,13,26H,11-12H2,1-2H3,(H,27,28)/p-1