(3-oxidanylidene-2-phenylmethoxy-7,8,9,10-tetrahydro-5H-phenanthridin-6-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3-oxidanylidene-2-phenylmethoxy-7,8,9,10-tetrahydro-5H-phenanthridin-6-yl) tris(fluoranyl)methanesulfonate Openeye Name: (2-benzyloxy-3-oxo-7,8,9,10-tetrahydro-5H-phenanthridin-6-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3-oxo-2-phenylmethoxy-7,8,9,10-tetrahydro-5H-phenanthridin-6-yl) ester IUPAC Name: (3-oxo-2-phenylmethoxy-7,8,9,10-tetrahydro-5H-phenanthridin-6-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-benzoxy-3-keto-7,8,9,10-tetrahydro-5H-phenanthridin-6-yl) ester Formula: C21H18F3NO5S MolecularWeight: 453.43153

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC3=CC(=O)C(=CC3=C2C1)OCC4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCC2=C(NC3=CC(=O)C(=CC3=C2C1)OCC4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H18F3NO5S/c22-21(23,24)31(27,28)30-20-15-9-5-4-8-14(15)16-10-19(18(26)11-17(16)25-20)29-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,25H,4-5,8-9,12H2