ethyl 4,4,4-tris(fluoranyl)-3-(phenylsulfinylmethyl)butanoate

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-3-(phenylsulfinylmethyl)butanoate Openeye Name: ethyl 3-(benzenesulfinylmethyl)-4,4,4-trifluoro-butanoate CAS Name: 3-(benzenesulfinylmethyl)-4,4,4-trifluorobutanoic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinylmethyl)-4,4,4-trifluorobutanoate Traditional Name: 3-(benzenesulfinylmethyl)-4,4,4-trifluoro-butyric acid ethyl ester Formula: C13H15F3O3S MolecularWeight: 308.31661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3O3S/c1-2-19-12(17)8-10(13(14,15)16)9-20(18)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3