methyl 3-[3-(4-acetyloxy-3,5-dimethyl-phenyl)carbonylphenyl]-2-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate

Systemtic Name: methyl 3-[3-(4-acetyloxy-3,5-dimethyl-phenyl)carbonylphenyl]-2-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: methyl 3-[3-(4-acetoxy-3,5-dimethyl-benzoyl)phenyl]-2-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 3-[3-[(4-acetyloxy-3,5-dimethylphenyl)-oxomethyl]phenyl]-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-acetyloxy-3,5-dimethylbenzoyl)phenyl]-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 3-[3-(4-acetoxy-3,5-dimethyl-benzoyl)phenyl]-2-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propionic acid methyl ester Formula: C33H26I4O7 MolecularWeight: 1042.17322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C(=O)C2=CC(=CC=C2)CC(C3=CC(=C(C(=C3)I)OC4=CC(=C(C(=C4)I)O)I)I)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)C(=O)C2=CC(=CC=C2)CC(C3=CC(=C(C(=C3)I)OC4=CC(=C(C(=C4)I)O)I)I)C(=O)OC

InChI

InChI=1S/C33H26I4O7/c1-16-8-22(9-17(2)31(16)43-18(3)38)29(39)20-7-5-6-19(10-20)11-24(33(41)42-4)21-12-27(36)32(28(37)13-21)44-23-14-25(34)30(40)26(35)15-23/h5-10,12-15,24,40H,11H2,1-4H3