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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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