[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: (1-benzyl-5-chloro-6-oxo-pyridazin-4-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl] ester IUPAC Name: (1-benzyl-5-chloro-6-oxopyridazin-4-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (1-benzyl-5-chloro-6-keto-pyridazin-4-yl) ester Formula: C12H8ClF3N2O4S MolecularWeight: 368.71613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)OS(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)OS(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C12H8ClF3N2O4S/c13-10-9(22-23(20,21)12(14,15)16)6-17-18(11(10)19)7-8-4-2-1-3-5-8/h1-6H,7H2