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

Systemtic Name: 3-[[5-(4-dibenzofuran-4-yl-3-fluoranyl-phenyl)-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[5-(4-dibenzofuran-4-yl-3-fluoro-phenyl)-2-fluoro-phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[5-[4-(4-dibenzofuranyl)-3-fluorophenyl]-2-fluorophenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[5-(4-dibenzofuran-4-yl-3-fluorophenyl)-2-fluorophenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[5-(4-dibenzofuran-4-yl-3-fluoro-phenyl)-2-fluoro-benzyl]thio]-2-methyl-propionic acid Formula: C29H22F2O3S MolecularWeight: 488.544986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22F2O3S/c1-17(29(32)33)15-35-16-20-13-18(10-12-25(20)30)19-9-11-21(26(31)14-19)23-6-4-7-24-22-5-2-3-8-27(22)34-28(23)24/h2-14,17H,15-16H2,1H3,(H,32,33)