ethyl 4,4,4-tris(fluoranyl)-2-phenylsulfanyl-3-(trifluoromethyl)butanoate

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-2-phenylsulfanyl-3-(trifluoromethyl)butanoate Openeye Name: ethyl 4,4,4-trifluoro-2-phenylsulfanyl-3-(trifluoromethyl)butanoate CAS Name: 4,4,4-trifluoro-2-(phenylthio)-3-(trifluoromethyl)butanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trifluoro-2-phenylsulfanyl-3-(trifluoromethyl)butanoate Traditional Name: 4,4,4-trifluoro-2-(phenylthio)-3-(trifluoromethyl)butyric acid ethyl ester Formula: C13H12F6O2S MolecularWeight: 346.288599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(F)(F)F)C(F)(F)F)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C(C(F)(F)F)C(F)(F)F)SC1=CC=CC=C1

InChI

InChI=1S/C13H12F6O2S/c1-2-21-11(20)9(22-8-6-4-3-5-7-8)10(12(14,15)16)13(17,18)19/h3-7,9-10H,2H2,1H3