3-[[5-(3-dibenzofuran-4-ylphenyl)-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[5-(3-dibenzofuran-4-ylphenyl)-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[5-(3-dibenzofuran-4-ylphenyl)-2-fluoro-phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[5-[3-(4-dibenzofuranyl)phenyl]-2-fluorophenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[5-(3-dibenzofuran-4-ylphenyl)-2-fluorophenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[5-(3-dibenzofuran-4-ylphenyl)-2-fluoro-benzyl]thio]-2-methyl-propionic acid Formula: C29H23FO3S MolecularWeight: 470.554523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23FO3S/c1-18(29(31)32)16-34-17-22-15-20(12-13-26(22)30)19-6-4-7-21(14-19)23-9-5-10-25-24-8-2-3-11-27(24)33-28(23)25/h2-15,18H,16-17H2,1H3,(H,31,32)