ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-(phenylsulfonylmethyl)butanoate

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-(phenylsulfonylmethyl)butanoate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-4,4,4-trifluoro-3-oxo-butanoate CAS Name: 2-(benzenesulfonylmethyl)-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-4,4,4-trifluoro-3-oxobutanoate Traditional Name: 2-(besylmethyl)-4,4,4-trifluoro-3-keto-butyric acid ethyl ester Formula: C13H13F3O5S MolecularWeight: 338.29953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)C(F)(F)F

InChI

InChI=1S/C13H13F3O5S/c1-2-21-12(18)10(11(17)13(14,15)16)8-22(19,20)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3