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

Systemtic Name: 4-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)butanoic acid Openeye Name: 2-benzylsulfanyl-4-oxo-4-phenyl-butanoic acid CAS Name: 4-oxo-4-phenyl-2-(phenylmethylthio)butanoic acid IUPAC Name: 2-benzylsulfanyl-4-oxo-4-phenylbutanoic acid Traditional Name: 2-(benzylthio)-4-keto-4-phenyl-butyric acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(CC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16O3S/c18-15(14-9-5-2-6-10-14)11-16(17(19)20)21-12-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H,19,20)