[(E,2S)-2-ethynyl-3-fluoranyl-2-oxidanyl-5-oxidanylidene-pent-3-enyl] benzoate

Systemtic Name: [(E,2S)-2-ethynyl-3-fluoranyl-2-oxidanyl-5-oxidanylidene-pent-3-enyl] benzoate Openeye Name: [(E,2S)-2-ethynyl-3-fluoro-2-hydroxy-5-oxo-pent-3-enyl] benzoate CAS Name: benzoic acid [(E,2S)-2-ethynyl-3-fluoro-2-hydroxy-5-oxopent-3-enyl] ester IUPAC Name: [(E,2S)-2-ethynyl-3-fluoro-2-hydroxy-5-oxopent-3-enyl] benzoate Traditional Name: benzoic acid [(E,2S)-2-ethynyl-3-fluoro-2-hydroxy-5-keto-pent-3-enyl] ester Formula: C14H11FO4 MolecularWeight: 262.233143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#C[C@](COC(=O)C1=CC=CC=C1)(/C(=C\C=O)/F)O

InChI

InChI=1S/C14H11FO4/c1-2-14(18,12(15)8-9-16)10-19-13(17)11-6-4-3-5-7-11/h1,3-9,18H,10H2/b12-8+/t14-/m0/s1