(2S)-2-[4-chloranyl-2-(3-cyanophenyl)phenoxy]propanoic acid

Systemtic Name: (2S)-2-[4-chloranyl-2-(3-cyanophenyl)phenoxy]propanoic acid Openeye Name: (2S)-2-[4-chloro-2-(3-cyanophenyl)phenoxy]propanoic acid CAS Name: (2S)-2-[4-chloro-2-(3-cyanophenyl)phenoxy]propanoic acid IUPAC Name: (2S)-2-[4-chloro-2-(3-cyanophenyl)phenoxy]propanoic acid Traditional Name: (2S)-2-[4-chloro-2-(3-cyanophenyl)phenoxy]propionic acid Formula: C16H12ClNO3 MolecularWeight: 301.72438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)Cl)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)O)OC1=C(C=C(C=C1)Cl)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H12ClNO3/c1-10(16(19)20)21-15-6-5-13(17)8-14(15)12-4-2-3-11(7-12)9-18/h2-8,10H,1H3,(H,19,20)/t10-/m0/s1