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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CSCC1=CC(=CC=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)16-36-17-19-6-4-7-20(14-19)37(33,34)21-12-13-22(26(30)15-21)24-9-5-10-25-23-8-2-3-11-27(23)35-28(24)25/h2-15,18H,16-17H2,1H3,(H,31,32)