2-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-3-methyl-butanoic acid CAS Name: 2-[[4-[4-(1-dibenzofuranyl)phenyl]phenyl]methylthio]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-dibenzofuran-1-ylphenyl)phenyl]methylsulfanyl]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-dibenzofuran-1-ylphenyl)benzyl]thio]-3-methyl-butyric acid Formula: C30H26O3S MolecularWeight: 466.59064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5OC4=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)SCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5OC4=CC=C3

InChI

InChI=1S/C30H26O3S/c1-19(2)29(30(31)32)34-18-20-10-12-21(13-11-20)22-14-16-23(17-15-22)24-7-5-9-27-28(24)25-6-3-4-8-26(25)33-27/h3-17,19,29H,18H2,1-2H3,(H,31,32)