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

Systemtic Name: 3-[[4-[(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-[(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[[3-tert-butyl-4-(4-dibenzofuranyl)phenyl]methoxy]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-[(3-tert-butyl-4-dibenzofuran-4-ylphenyl)methoxy]phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-benzyl)oxybenzyl]thio]-2-methyl-propionic acid Formula: C34H34O4S MolecularWeight: 538.69636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H34O4S/c1-22(33(35)36)20-39-21-23-12-15-25(16-13-23)37-19-24-14-17-26(30(18-24)34(2,3)4)28-9-7-10-29-27-8-5-6-11-31(27)38-32(28)29/h5-18,22H,19-21H2,1-4H3,(H,35,36)