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

Systemtic Name: 2,2-bis(fluoranyl)-3-oxidanyl-3-phenyl-octanethioic S-acid Openeye Name: 2,2-difluoro-3-hydroxy-3-phenyl-octanethioic S-acid CAS Name: 2,2-difluoro-3-hydroxy-3-phenyloctanethioic S-acid IUPAC Name: 2,2-difluoro-3-hydroxy-3-phenyloctanethioic S-acid Traditional Name: 2,2-difluoro-3-hydroxy-3-phenyl-thiocaprylic acid Formula: C14H18F2O2S MolecularWeight: 288.353326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)(C(C(=O)S)(F)F)O

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)(C(C(=O)S)(F)F)O

InChI

InChI=1S/C14H18F2O2S/c1-2-3-7-10-13(18,14(15,16)12(17)19)11-8-5-4-6-9-11/h4-6,8-9,18H,2-3,7,10H2,1H3,(H,17,19)