4-oxidanylidene-4-phenyl-2-(propanoylsulfanylmethyl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-phenyl-2-(propanoylsulfanylmethyl)butanoic acid Openeye Name: 4-oxo-4-phenyl-2-(propanoylsulfanylmethyl)butanoic acid CAS Name: 4-oxo-2-[(1-oxopropylthio)methyl]-4-phenylbutanoic acid IUPAC Name: 4-oxo-4-phenyl-2-(propanoylsulfanylmethyl)butanoic acid Traditional Name: 4-keto-4-phenyl-2-[(propionylthio)methyl]butyric acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(CC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(=O)SCC(CC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H16O4S/c1-2-13(16)19-9-11(14(17)18)8-12(15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,17,18)