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

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)sulfonyl-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)sulfonyl-2-fluoro-phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[4-(4-dibenzofuranyl)phenyl]sulfonyl-2-fluorophenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)sulfonyl-2-fluorophenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)sulfonyl-2-fluoro-benzyl]thio]-2-methyl-propionic acid Formula: C29H23FO5S2 MolecularWeight: 534.618323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23FO5S2/c1-18(29(31)32)16-36-17-20-11-14-22(15-26(20)30)37(33,34)21-12-9-19(10-13-21)23-6-4-7-25-24-5-2-3-8-27(24)35-28(23)25/h2-15,18H,16-17H2,1H3,(H,31,32)