S-[3,3,3-tris(fluoranyl)-2-oxidanylidene-1-phenyl-propyl] benzenecarbothioate

Systemtic Name: S-[3,3,3-tris(fluoranyl)-2-oxidanylidene-1-phenyl-propyl] benzenecarbothioate Openeye Name: S-(3,3,3-trifluoro-2-oxo-1-phenyl-propyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(3,3,3-trifluoro-2-oxo-1-phenylpropyl) ester IUPAC Name: S-(3,3,3-trifluoro-2-oxo-1-phenylpropyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3,3,3-trifluoro-2-keto-1-phenyl-propyl) ester Formula: C16H11F3O2S MolecularWeight: 324.31755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C(F)(F)F)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C(F)(F)F)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H11F3O2S/c17-16(18,19)14(20)13(11-7-3-1-4-8-11)22-15(21)12-9-5-2-6-10-12/h1-10,13H