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

Systemtic Name: 2,2-bis(fluoranyl)-3-oxidanyl-3-phenyl-heptanethioic S-acid Openeye Name: 2,2-difluoro-3-hydroxy-3-phenyl-heptanethioic S-acid CAS Name: 2,2-difluoro-3-hydroxy-3-phenylheptanethioic S-acid IUPAC Name: 2,2-difluoro-3-hydroxy-3-phenylheptanethioic S-acid Traditional Name: 2,2-difluoro-3-hydroxy-3-phenyl-thioenanthic acid Formula: C13H16F2O2S MolecularWeight: 274.326746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2O2S/c1-2-3-9-12(17,13(14,15)11(16)18)10-7-5-4-6-8-10/h4-8,17H,2-3,9H2,1H3,(H,16,18)