[(2S)-3,3-bis(fluoranyl)-2-oxidanyl-heptyl] benzoate

Systemtic Name: [(2S)-3,3-bis(fluoranyl)-2-oxidanyl-heptyl] benzoate Openeye Name: [(2S)-3,3-difluoro-2-hydroxy-heptyl] benzoate CAS Name: benzoic acid [(2S)-3,3-difluoro-2-hydroxyheptyl] ester IUPAC Name: [(2S)-3,3-difluoro-2-hydroxyheptyl] benzoate Traditional Name: benzoic acid [(2S)-3,3-difluoro-2-hydroxy-heptyl] ester Formula: C14H18F2O3 MolecularWeight: 272.287726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC([C@H](COC(=O)C1=CC=CC=C1)O)(F)F

InChI

InChI=1S/C14H18F2O3/c1-2-3-9-14(15,16)12(17)10-19-13(18)11-7-5-4-6-8-11/h4-8,12,17H,2-3,9-10H2,1H3/t12-/m0/s1