4-[4-(3-chloranylphenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-chloranylphenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-[4-(3-chlorophenoxy)phenyl]-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-[4-(3-chlorophenoxy)phenyl]-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-[4-(3-chlorophenoxy)phenyl]-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-[4-(3-chlorophenoxy)phenyl]-4-keto-butyric acid Formula: C18H15ClO5S MolecularWeight: 378.8267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO5S/c1-11(20)25-17(18(22)23)10-16(21)12-5-7-14(8-6-12)24-15-4-2-3-13(19)9-15/h2-9,17H,10H2,1H3,(H,22,23)