3-chloranyl-4-(3-ethanoylsulfanyl-4-phenyl-phenyl)butanoic acid

Systemtic Name: 3-chloranyl-4-(3-ethanoylsulfanyl-4-phenyl-phenyl)butanoic acid Openeye Name: 4-(3-acetylsulfanyl-4-phenyl-phenyl)-3-chloro-butanoic acid CAS Name: 4-[3-(acetylthio)-4-phenylphenyl]-3-chlorobutanoic acid IUPAC Name: 4-(3-acetylsulfanyl-4-phenylphenyl)-3-chlorobutanoic acid Traditional Name: 4-[3-(acetylthio)-4-phenyl-phenyl]-3-chloro-butyric acid Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C=CC(=C1)CC(CC(=O)O)Cl)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SC1=C(C=CC(=C1)CC(CC(=O)O)Cl)C2=CC=CC=C2

InChI

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