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

Systemtic Name: 4-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-butanoic acid Openeye Name: 4-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-butanoic acid CAS Name: 4-[4-(2-chlorophenyl)phenyl]-2-thiocyanatobutanoic acid IUPAC Name: 4-[4-(2-chlorophenyl)phenyl]-2-thiocyanatobutanoic acid Traditional Name: 4-[4-(2-chlorophenyl)phenyl]-2-thiocyanato-butyric acid Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCC(C(=O)O)SC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCC(C(=O)O)SC#N)Cl

InChI

InChI=1S/C17H14ClNO2S/c18-15-4-2-1-3-14(15)13-8-5-12(6-9-13)7-10-16(17(20)21)22-11-19/h1-6,8-9,16H,7,10H2,(H,20,21)