3-phenyl-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-phenyl-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-3-phenyl-propanoic acid CAS Name: 3-phenyl-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-3-phenylpropanoic acid Traditional Name: 2-(benzylthio)-3-phenyl-propionic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2S/c17-16(18)15(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)