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

Systemtic Name: S-tert-butyl 2,2-bis(fluoranyl)-3-oxidanyl-octanethioate Openeye Name: S-tert-butyl 2,2-difluoro-3-hydroxy-octanethioate CAS Name: 2,2-difluoro-3-hydroxyoctanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,2-difluoro-3-hydroxyoctanethioate Traditional Name: 2,2-difluoro-3-hydroxy-octanethioic acid S-tert-butyl ester Formula: C12H22F2O2S MolecularWeight: 268.363686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)SC(C)(C)C)(F)F)O

Isomeric SMILES

CCCCCC(C(C(=O)SC(C)(C)C)(F)F)O

InChI

InChI=1S/C12H22F2O2S/c1-5-6-7-8-9(15)12(13,14)10(16)17-11(2,3)4/h9,15H,5-8H2,1-4H3