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

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-3-(phenylmethylsulfanyl)butanoate Openeye Name: ethyl 3-benzylsulfanyl-4,4,4-trifluoro-butanoate CAS Name: 4,4,4-trifluoro-3-(phenylmethylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-4,4,4-trifluorobutanoate Traditional Name: 3-(benzylthio)-4,4,4-trifluoro-butyric acid ethyl ester Formula: C13H15F3O2S MolecularWeight: 292.31721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(F)(F)F)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(C(F)(F)F)SCC1=CC=CC=C1

InChI

InChI=1S/C13H15F3O2S/c1-2-18-12(17)8-11(13(14,15)16)19-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3