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

Systemtic Name: (3S)-5-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(3-chloro-4-fluoro-phenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(3-chloro-4-fluorophenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(3-chloro-4-fluorophenyl)-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(3-chloro-4-fluoro-phenyl)-5-keto-3-methyl-valeric acid Formula: C12H12ClFO3 MolecularWeight: 258.673283

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC(=C(C=C1)F)Cl)CC(=O)O

Isomeric SMILES

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

InChI

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