2-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-propanoic acid

Systemtic Name: 2-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-propanoic acid Openeye Name: 2-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-propanoic acid CAS Name: 2-[4-(2-chlorophenyl)phenyl]-2-thiocyanatopropanoic acid IUPAC Name: 2-[4-(2-chlorophenyl)phenyl]-2-thiocyanatopropanoic acid Traditional Name: 2-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-propionic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)(C(=O)O)SC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)(C(=O)O)SC#N

InChI

InChI=1S/C16H12ClNO2S/c1-16(15(19)20,21-10-18)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,19,20)