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

Systemtic Name: 3-[[5-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)sulfonyl-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[5-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)sulfonyl-2-fluoro-phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[5-[3-tert-butyl-4-(4-dibenzofuranyl)phenyl]sulfonyl-2-fluorophenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[5-(3-tert-butyl-4-dibenzofuran-4-ylphenyl)sulfonyl-2-fluorophenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[5-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)sulfonyl-2-fluoro-benzyl]thio]-2-methyl-propionic acid Formula: C33H31FO5S2 MolecularWeight: 590.724643

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H31FO5S2/c1-20(32(35)36)18-40-19-21-16-22(13-15-29(21)34)41(37,38)23-12-14-24(28(17-23)33(2,3)4)26-9-7-10-27-25-8-5-6-11-30(25)39-31(26)27/h5-17,20H,18-19H2,1-4H3,(H,35,36)