2-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[4-[3-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[[4-(3-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C28H22O3S MolecularWeight: 438.53748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC4=C3OC5=CC=CC=C45

Isomeric SMILES

CC(C(=O)O)SCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC4=C3OC5=CC=CC=C45

InChI

InChI=1S/C28H22O3S/c1-18(28(29)30)32-17-19-12-14-20(15-13-19)21-6-4-7-22(16-21)23-9-5-10-25-24-8-2-3-11-26(24)31-27(23)25/h2-16,18H,17H2,1H3,(H,29,30)