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

Systemtic Name: 3-[[3-(4-dibenzofuran-4-yl-3-fluoranyl-phenyl)carbonylphenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[3-(4-dibenzofuran-4-yl-3-fluoro-benzoyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[3-[[4-(4-dibenzofuranyl)-3-fluorophenyl]-oxomethyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[3-(4-dibenzofuran-4-yl-3-fluorobenzoyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[3-(4-dibenzofuran-4-yl-3-fluoro-benzoyl)benzyl]thio]-2-methyl-propionic acid Formula: C30H23FO4S MolecularWeight: 498.564623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H23FO4S/c1-18(30(33)34)16-36-17-19-6-4-7-20(14-19)28(32)21-12-13-22(26(31)15-21)24-9-5-10-25-23-8-2-3-11-27(23)35-29(24)25/h2-15,18H,16-17H2,1H3,(H,33,34)