3-butyl-2,2-bis(fluoranyl)-3-oxidanyl-octanethioic S-acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)(C(C(=O)S)(F)F)O

Isomeric SMILES

CCCCCC(CCCC)(C(C(=O)S)(F)F)O

InChI

InChI=1S/C12H22F2O2S/c1-3-5-7-9-11(16,8-6-4-2)12(13,14)10(15)17/h16H,3-9H2,1-2H3,(H,15,17)