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

Systemtic Name: 3-[[4-[(3-dibenzofuran-4-ylphenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-[(3-dibenzofuran-4-ylphenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[[3-(4-dibenzofuranyl)phenyl]methoxy]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-[(3-dibenzofuran-4-ylphenyl)methoxy]phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(3-dibenzofuran-4-ylbenzyl)oxybenzyl]thio]-2-methyl-propionic acid Formula: C30H26O4S MolecularWeight: 482.59004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26O4S/c1-20(30(31)32)18-35-19-21-12-14-24(15-13-21)33-17-22-6-4-7-23(16-22)25-9-5-10-27-26-8-2-3-11-28(26)34-29(25)27/h2-16,20H,17-19H2,1H3,(H,31,32)