ethyl 4,4,4-tris(fluoranyl)-2-(phenylsulfanylmethyl)butanoate

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-2-(phenylsulfanylmethyl)butanoate Openeye Name: ethyl 4,4,4-trifluoro-2-(phenylsulfanylmethyl)butanoate CAS Name: 4,4,4-trifluoro-2-[(phenylthio)methyl]butanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trifluoro-2-(phenylsulfanylmethyl)butanoate Traditional Name: 4,4,4-trifluoro-2-[(phenylthio)methyl]butyric acid ethyl ester Formula: C13H15F3O2S MolecularWeight: 292.31721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(F)(F)F)CSC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(F)(F)F)CSC1=CC=CC=C1

InChI

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