(2-ethyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-ethyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl) tris(fluoranyl)methanesulfonate Openeye Name: (2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl) ester IUPAC Name: (2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-ethyl-1-keto-3,4-dihydroisoquinolin-6-yl) ester Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1=O)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCN1CCC2=C(C1=O)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO4S/c1-2-16-6-5-8-7-9(3-4-10(8)11(16)17)20-21(18,19)12(13,14)15/h3-4,7H,2,5-6H2,1H3