3-[1-(2-chlorophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(2-chlorophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-(2-chlorophenyl)-3-oxo-3-phenyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-chlorophenyl)-3-oxo-3-phenylpropyl]thio]propanoic acid IUPAC Name: 3-[1-(2-chlorophenyl)-3-oxo-3-phenylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[1-(2-chlorophenyl)-3-keto-3-phenyl-propyl]thio]propionic acid Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2Cl)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2Cl)SCCC(=O)O

InChI

InChI=1S/C18H17ClO3S/c19-15-9-5-4-8-14(15)17(23-11-10-18(21)22)12-16(20)13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,21,22)