(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-3-(4-chlorophenyl)-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-(4-chlorophenyl)-5-methoxy-5-oxo-pentanoic acid CAS Name: (3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid IUPAC Name: (3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid Traditional Name: (3S)-3-(4-chlorophenyl)-5-keto-5-methoxy-valeric acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4/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)/t9-/m0/s1