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

Systemtic Name: 3-[[3-(4-dibenzofuran-4-ylphenyl)sulfonylphenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[3-(4-dibenzofuran-4-ylphenyl)sulfonylphenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[3-[4-(4-dibenzofuranyl)phenyl]sulfonylphenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[3-(4-dibenzofuran-4-ylphenyl)sulfonylphenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[3-(4-dibenzofuran-4-ylphenyl)sulfonylbenzyl]thio]-2-methyl-propionic acid Formula: C29H24O5S2 MolecularWeight: 516.62786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24O5S2/c1-19(29(30)31)17-35-18-20-6-4-7-23(16-20)36(32,33)22-14-12-21(13-15-22)24-9-5-10-26-25-8-2-3-11-27(25)34-28(24)26/h2-16,19H,17-18H2,1H3,(H,30,31)