3-phenyl-2-[4-(phenylmethylsulfanyl)phenoxy]propanoic acid

Systemtic Name: 3-phenyl-2-[4-(phenylmethylsulfanyl)phenoxy]propanoic acid Openeye Name: 2-(4-benzylsulfanylphenoxy)-3-phenyl-propanoic acid CAS Name: 3-phenyl-2-[4-(phenylmethylthio)phenoxy]propanoic acid IUPAC Name: 2-(4-benzylsulfanylphenoxy)-3-phenylpropanoic acid Traditional Name: 2-[4-(benzylthio)phenoxy]-3-phenyl-propionic acid Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)26-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)