[(2R,3R,4R,5R)-2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-3-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [(2R,3R,4R,5R)-2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-3-yl] 3-(trifluoromethyl)benzoate Openeye Name: [(2R,3R,4R,5R)-4-benzoyloxy-5-(benzoyloxymethyl)-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(2R,3R,4R,5R)-4-benzoyloxy-5-(benzoyloxymethyl)-2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-4-benzoyloxy-5-(benzoyloxymethyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(2R,3R,4R,5R)-4-benzoyloxy-5-(benzoyloxymethyl)-2-(5-fluoro-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C31H22F4N2O9 MolecularWeight: 642.507993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C(C(=O)NC3=O)F)OC(=O)C4=CC(=CC=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)F)OC(=O)C4=CC(=CC=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H22F4N2O9/c32-21-15-37(30(42)36-25(21)38)26-24(46-29(41)19-12-7-13-20(14-19)31(33,34)35)23(45-28(40)18-10-5-2-6-11-18)22(44-26)16-43-27(39)17-8-3-1-4-9-17/h1-15,22-24,26H,16H2,(H,36,38,42)/t22-,23-,24-,26-/m1/s1