[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C21H15F3O6S MolecularWeight: 452.40041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H15F3O6S/c22-21(23,24)15-6-4-5-14(11-15)18(25)12-29-20(26)19-10-9-16(30-19)13-31(27,28)17-7-2-1-3-8-17/h1-11H,12-13H2