(3S)-3-(4-fluorophenyl)-5-methoxy-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-3-(4-fluorophenyl)-5-methoxy-5-oxidanylidene-pentanoate Openeye Name: (3S)-3-(4-fluorophenyl)-5-methoxy-5-oxo-pentanoate CAS Name: (3S)-3-(4-fluorophenyl)-5-methoxy-5-oxopentanoate IUPAC Name: (3S)-3-(4-fluorophenyl)-5-methoxy-5-oxopentanoate Traditional Name: (3S)-3-(4-fluorophenyl)-5-keto-5-methoxy-valerate Formula: C12H12FO4- MolecularWeight: 239.219683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)[O-])C1=CC=C(C=C1)F

Isomeric SMILES

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

InChI

InChI=1S/C12H13FO4/c1-17-12(16)7-9(6-11(14)15)8-2-4-10(13)5-3-8/h2-5,9H,6-7H2,1H3,(H,14,15)/p-1/t9-/m0/s1