[(2S)-2-(fluoranylmethyl)-2-oxidanyl-butyl] benzoate

Systemtic Name: [(2S)-2-(fluoranylmethyl)-2-oxidanyl-butyl] benzoate Openeye Name: [(2S)-2-(fluoromethyl)-2-hydroxy-butyl] benzoate CAS Name: benzoic acid [(2S)-2-(fluoromethyl)-2-hydroxybutyl] ester IUPAC Name: [(2S)-2-(fluoromethyl)-2-hydroxybutyl] benzoate Traditional Name: benzoic acid [(2S)-2-(fluoromethyl)-2-hydroxy-butyl] ester Formula: C12H15FO3 MolecularWeight: 226.244103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1)(CF)O

Isomeric SMILES

CC[C@](COC(=O)C1=CC=CC=C1)(CF)O

InChI

InChI=1S/C12H15FO3/c1-2-12(15,8-13)9-16-11(14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3/t12-/m1/s1