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

Systemtic Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)carbonyl-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-benzoyl)-2-fluoro-phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[[3-tert-butyl-4-(4-dibenzofuranyl)phenyl]-oxomethyl]-2-fluorophenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-ylbenzoyl)-2-fluorophenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-benzoyl)-2-fluoro-benzyl]thio]-2-methyl-propionic acid Formula: C34H31FO4S MolecularWeight: 554.670943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H31FO4S/c1-20(33(37)38)18-40-19-23-13-12-22(17-29(23)35)31(36)21-14-15-24(28(16-21)34(2,3)4)26-9-7-10-27-25-8-5-6-11-30(25)39-32(26)27/h5-17,20H,18-19H2,1-4H3,(H,37,38)