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

Systemtic Name: S-[(1R,2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-1-phenyl-propyl] benzenecarbothioate Openeye Name: S-[(1R,2S)-3,3,3-trifluoro-2-hydroxy-1-phenyl-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1R,2S)-3,3,3-trifluoro-2-hydroxy-1-phenylpropyl] ester IUPAC Name: S-[(1R,2S)-3,3,3-trifluoro-2-hydroxy-1-phenylpropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1R,2S)-3,3,3-trifluoro-2-hydroxy-1-phenyl-propyl] ester Formula: C16H13F3O2S MolecularWeight: 326.33343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](C(F)(F)F)O)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13F3O2S/c17-16(18,19)14(20)13(11-7-3-1-4-8-11)22-15(21)12-9-5-2-6-10-12/h1-10,13-14,20H/t13-,14-/m1/s1