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

Systemtic Name: 2-[[3-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[3-(4-dibenzofuranyl)phenyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(3-dibenzofuran-4-ylphenyl)benzyl]thio]acetic acid Formula: C27H20O3S MolecularWeight: 424.5109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)CSCC(=O)O

InChI

InChI=1S/C27H20O3S/c28-26(29)17-31-16-18-6-3-7-19(14-18)20-8-4-9-21(15-20)22-11-5-12-24-23-10-1-2-13-25(23)30-27(22)24/h1-15H,16-17H2,(H,28,29)