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

Systemtic Name: 4-[4-(2-chlorophenyl)phenyl]-2-ethanoylsulfanyl-butanoic acid Openeye Name: 2-acetylsulfanyl-4-[4-(2-chlorophenyl)phenyl]butanoic acid CAS Name: 2-(acetylthio)-4-[4-(2-chlorophenyl)phenyl]butanoic acid IUPAC Name: 2-acetylsulfanyl-4-[4-(2-chlorophenyl)phenyl]butanoic acid Traditional Name: 2-(acetylthio)-4-[4-(2-chlorophenyl)phenyl]butyric acid Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C18H17ClO3S/c1-12(20)23-17(18(21)22)11-8-13-6-9-14(10-7-13)15-4-2-3-5-16(15)19/h2-7,9-10,17H,8,11H2,1H3,(H,21,22)