S-[2,2,2-tris(fluoranyl)ethyl] (E)-4-phenylbut-3-enethioate

Systemtic Name: S-[2,2,2-tris(fluoranyl)ethyl] (E)-4-phenylbut-3-enethioate Openeye Name: S-(2,2,2-trifluoroethyl) (E)-4-phenylbut-3-enethioate CAS Name: (E)-4-phenyl-3-butenethioic acid S-(2,2,2-trifluoroethyl) ester IUPAC Name: S-(2,2,2-trifluoroethyl) (E)-4-phenylbut-3-enethioate Traditional Name: (E)-4-phenylbut-3-enethioic acid S-(2,2,2-trifluoroethyl) ester Formula: C12H11F3OS MolecularWeight: 260.27535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC(=O)SCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CC(=O)SCC(F)(F)F

InChI

InChI=1S/C12H11F3OS/c13-12(14,15)9-17-11(16)8-4-7-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+