3-[[5-[(3-dibenzofuran-4-ylphenyl)methoxy]-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[5-[(3-dibenzofuran-4-ylphenyl)methoxy]-2-fluoranyl-phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[5-[(3-dibenzofuran-4-ylphenyl)methoxy]-2-fluoro-phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[5-[[3-(4-dibenzofuranyl)phenyl]methoxy]-2-fluorophenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[5-[(3-dibenzofuran-4-ylphenyl)methoxy]-2-fluorophenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[5-(3-dibenzofuran-4-ylbenzyl)oxy-2-fluoro-benzyl]thio]-2-methyl-propionic acid Formula: C30H25FO4S MolecularWeight: 500.580503

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C3=CC=CC4=C3OC5=CC=CC=C45)F)C(=O)O

Isomeric SMILES

CC(CSCC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C3=CC=CC4=C3OC5=CC=CC=C45)F)C(=O)O

InChI

InChI=1S/C30H25FO4S/c1-19(30(32)33)17-36-18-22-15-23(12-13-27(22)31)34-16-20-6-4-7-21(14-20)24-9-5-10-26-25-8-2-3-11-28(25)35-29(24)26/h2-15,19H,16-18H2,1H3,(H,32,33)