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

Systemtic Name: 3-[[3-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[3-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[3-[3-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[3-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[3-(3-dibenzofuran-4-ylphenyl)benzyl]thio]-2-methyl-propionic acid Formula: C29H24O3S MolecularWeight: 452.56406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC(=C1)C2=CC(=CC=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(CSCC1=CC=CC(=C1)C2=CC(=CC=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C29H24O3S/c1-19(29(30)31)17-33-18-20-7-4-8-21(15-20)22-9-5-10-23(16-22)24-12-6-13-26-25-11-2-3-14-27(25)32-28(24)26/h2-16,19H,17-18H2,1H3,(H,30,31)