[5-methyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-methyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: (1-benzyl-5-methyl-6-oxo-pyridazin-3-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-methyl-6-oxo-1-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: (1-benzyl-5-methyl-6-oxopyridazin-3-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (1-benzyl-6-keto-5-methyl-pyridazin-3-yl) ester Formula: C13H11F3N2O4S MolecularWeight: 348.29765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN(C1=O)CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN(C1=O)CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O4S/c1-9-7-11(22-23(20,21)13(14,15)16)17-18(12(9)19)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3