3-[[3-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[3-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[3-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[3-[3-tert-butyl-4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[3-(3-tert-butyl-4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[3-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)benzyl]thio]-2-methyl-propionic acid Formula: C33H32O3S MolecularWeight: 508.67038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32O3S/c1-21(32(34)35)19-37-20-22-9-7-10-23(17-22)24-15-16-25(29(18-24)33(2,3)4)27-12-8-13-28-26-11-5-6-14-30(26)36-31(27)28/h5-18,21H,19-20H2,1-4H3,(H,34,35)