[3,3,3-tris(fluoranyl)-1-(phenylmethylsulfanyl)propyl] ethanoate

Systemtic Name: [3,3,3-tris(fluoranyl)-1-(phenylmethylsulfanyl)propyl] ethanoate Openeye Name: (1-benzylsulfanyl-3,3,3-trifluoro-propyl) acetate CAS Name: acetic acid [3,3,3-trifluoro-1-(phenylmethylthio)propyl] ester IUPAC Name: (1-benzylsulfanyl-3,3,3-trifluoropropyl) acetate Traditional Name: acetic acid [1-(benzylthio)-3,3,3-trifluoro-propyl] ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(F)(F)F)SCC1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(CC(F)(F)F)SCC1=CC=CC=C1

InChI

InChI=1S/C12H13F3O2S/c1-9(16)17-11(7-12(13,14)15)18-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3