methyl 4-[2,2,2-tris(fluoranyl)ethanoyloxymethylsulfanyl]benzoate

Systemtic Name: methyl 4-[2,2,2-tris(fluoranyl)ethanoyloxymethylsulfanyl]benzoate Openeye Name: methyl 4-[(2,2,2-trifluoroacetyl)oxymethylsulfanyl]benzoate CAS Name: 4-[(2,2,2-trifluoro-1-oxoethoxy)methylthio]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,2,2-trifluoroacetyl)oxymethylsulfanyl]benzoate Traditional Name: 4-[(2,2,2-trifluoroacetyl)oxymethylthio]benzoic acid methyl ester Formula: C11H9F3O4S MolecularWeight: 294.24697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3O4S/c1-17-9(15)7-2-4-8(5-3-7)19-6-18-10(16)11(12,13)14/h2-5H,6H2,1H3