4-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-[4-(4-chlorophenyl)sulfanylphenyl]-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-[4-[(4-chlorophenyl)thio]phenyl]-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-[4-(4-chlorophenyl)sulfanylphenyl]-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-[4-[(4-chlorophenyl)thio]phenyl]-4-keto-butyric acid Formula: C18H15ClO4S2 MolecularWeight: 394.8923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H15ClO4S2/c1-11(20)24-17(18(22)23)10-16(21)12-2-6-14(7-3-12)25-15-8-4-13(19)5-9-15/h2-9,17H,10H2,1H3,(H,22,23)