4-[4-(4-chloranyl-2-methyl-phenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-chloranyl-2-methyl-phenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-[4-(4-chloro-2-methyl-phenoxy)phenyl]-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-[4-(4-chloro-2-methylphenoxy)phenyl]-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-[4-(4-chloro-2-methylphenoxy)phenyl]-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-[4-(4-chloro-2-methyl-phenoxy)phenyl]-4-keto-butyric acid Formula: C19H17ClO5S MolecularWeight: 392.85328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)C(=O)CC(C(=O)O)SC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)C(=O)CC(C(=O)O)SC(=O)C

InChI

InChI=1S/C19H17ClO5S/c1-11-9-14(20)5-8-17(11)25-15-6-3-13(4-7-15)16(22)10-18(19(23)24)26-12(2)21/h3-9,18H,10H2,1-2H3,(H,23,24)