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

Systemtic Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-phenyl)carbonylphenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-benzoyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[[3-tert-butyl-4-(4-dibenzofuranyl)phenyl]-oxomethyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-ylbenzoyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(3-tert-butyl-4-dibenzofuran-4-yl-benzoyl)benzyl]thio]-2-methyl-propionic acid Formula: C34H32O4S MolecularWeight: 536.68048

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H32O4S/c1-21(33(36)37)19-39-20-22-12-14-23(15-13-22)31(35)24-16-17-25(29(18-24)34(2,3)4)27-9-7-10-28-26-8-5-6-11-30(26)38-32(27)28/h5-18,21H,19-20H2,1-4H3,(H,36,37)