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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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