methyl 2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]benzoate

Systemtic Name: methyl 2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]benzoate Openeye Name: methyl 2-(3,4,4-trifluorobut-3-enylsulfanyl)benzoate CAS Name: 2-(3,4,4-trifluorobut-3-enylthio)benzoic acid methyl ester IUPAC Name: methyl 2-(3,4,4-trifluorobut-3-enylsulfanyl)benzoate Traditional Name: 2-(3,4,4-trifluorobut-3-enylthio)benzoic acid methyl ester Formula: C12H11F3O2S MolecularWeight: 276.27475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCCC(=C(F)F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCCC(=C(F)F)F

InChI

InChI=1S/C12H11F3O2S/c1-17-12(16)8-4-2-3-5-10(8)18-7-6-9(13)11(14)15/h2-5H,6-7H2,1H3