(3S)-5-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(3-chlorophenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(3-chlorophenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(3-chlorophenyl)-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(3-chlorophenyl)-5-keto-3-methyl-valeric acid Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC(=CC=C1)Cl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3/c1-8(6-12(15)16)5-11(14)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,15,16)/t8-/m0/s1