3-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[4-(1-dibenzofuranyl)phenyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(4-dibenzofuran-1-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=C(C=C1)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5OC4=CC=C3)C(=O)O

Isomeric SMILES

CC(CSCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5OC4=CC=C3)C(=O)O

InChI

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