(3S)-3-(4-chlorophenyl)-3-cyano-propanoic acid

Systemtic Name: (3S)-3-(4-chlorophenyl)-3-cyano-propanoic acid Openeye Name: (3S)-3-(4-chlorophenyl)-3-cyano-propanoic acid CAS Name: (3S)-3-(4-chlorophenyl)-3-cyanopropanoic acid IUPAC Name: (3S)-3-(4-chlorophenyl)-3-cyanopropanoic acid Traditional Name: (3S)-3-(4-chlorophenyl)-3-cyano-propionic acid Formula: C10H8ClNO2 MolecularWeight: 209.62902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m1/s1