(3S)-5-(4-chloranyl-3-fluoranyl-phenyl)-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-(4-chloranyl-3-fluoranyl-phenyl)-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-(4-chloro-3-fluoro-phenyl)-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-(4-chloro-3-fluorophenyl)-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-(4-chloro-3-fluorophenyl)-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-(4-chloro-3-fluoro-phenyl)-5-keto-3-methyl-valerate Formula: C12H11ClFO3- MolecularWeight: 257.665343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClFO3/c1-7(5-12(16)17)4-11(15)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)/p-1/t7-/m0/s1