(3S)-3-[(4-chlorophenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[(4-chlorophenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[(4-chlorophenyl)methyl]-4-methoxy-4-oxo-butanoic acid CAS Name: (3S)-3-[(4-chlorophenyl)methyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: (3S)-3-[(4-chlorophenyl)methyl]-4-methoxy-4-oxobutanoic acid Traditional Name: (3S)-3-(4-chlorobenzyl)-4-keto-4-methoxy-butyric acid Formula: C12H13ClO4 MolecularWeight: 256.68222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)Cl)CC(=O)O

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=C(C=C1)Cl)CC(=O)O

InChI

InChI=1S/C12H13ClO4/c1-17-12(16)9(7-11(14)15)6-8-2-4-10(13)5-3-8/h2-5,9H,6-7H2,1H3,(H,14,15)/t9-/m0/s1