2-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(2-methyl-2-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfinic acid

Systemtic Name: 2-[1-(3-chloranyl-4-fluoranyl-phenyl)-5-(2-methyl-2-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfinic acid Openeye Name: 2-[1-(3-chloro-4-fluoro-phenyl)-5-(2-hydroxy-2-methyl-propoxy)-6-oxo-pyridazin-4-yl]benzenesulfinic acid CAS Name: 2-[1-(3-chloro-4-fluorophenyl)-5-(2-hydroxy-2-methylpropoxy)-6-oxo-4-pyridazinyl]benzenesulfinic acid IUPAC Name: 2-[1-(3-chloro-4-fluorophenyl)-5-(2-hydroxy-2-methylpropoxy)-6-oxopyridazin-4-yl]benzenesulfinic acid Traditional Name: 2-[1-(3-chloro-4-fluoro-phenyl)-5-(2-hydroxy-2-methyl-propoxy)-6-keto-pyridazin-4-yl]benzenesulfinic acid Formula: C20H18ClFN2O5S MolecularWeight: 452.883723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3S(=O)O)O

Isomeric SMILES

CC(C)(COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3S(=O)O)O

InChI

InChI=1S/C20H18ClFN2O5S/c1-20(2,26)11-29-18-14(13-5-3-4-6-17(13)30(27)28)10-23-24(19(18)25)12-7-8-16(22)15(21)9-12/h3-10,26H,11H2,1-2H3,(H,27,28)