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

Systemtic Name: S-tert-butyl 2,2-bis(fluoranyl)-3-oxidanyl-3-phenyl-propanethioate Openeye Name: S-tert-butyl 2,2-difluoro-3-hydroxy-3-phenyl-propanethioate CAS Name: 2,2-difluoro-3-hydroxy-3-phenylpropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,2-difluoro-3-hydroxy-3-phenylpropanethioate Traditional Name: 2,2-difluoro-3-hydroxy-3-phenyl-propanethioic acid S-tert-butyl ester Formula: C13H16F2O2S MolecularWeight: 274.326746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2O2S/c1-12(2,3)18-11(17)13(14,15)10(16)9-7-5-4-6-8-9/h4-8,10,16H,1-3H3