S-tert-butyl 2,2-bis(fluoranyl)-3-oxidanyl-3-phenyl-butanethioate

Systemtic Name: S-tert-butyl 2,2-bis(fluoranyl)-3-oxidanyl-3-phenyl-butanethioate Openeye Name: S-tert-butyl 2,2-difluoro-3-hydroxy-3-phenyl-butanethioate CAS Name: 2,2-difluoro-3-hydroxy-3-phenylbutanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,2-difluoro-3-hydroxy-3-phenylbutanethioate Traditional Name: 2,2-difluoro-3-hydroxy-3-phenyl-butanethioic acid S-tert-butyl ester Formula: C14H18F2O2S MolecularWeight: 288.353326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F2O2S/c1-12(2,3)19-11(17)14(15,16)13(4,18)10-8-6-5-7-9-10/h5-9,18H,1-4H3