2-acetyloxy-5-[[2,6-bis(iodanyl)-4-(phenylcarbonyl)phenoxy]methyl]benzoic acid

Systemtic Name: 2-acetyloxy-5-[[2,6-bis(iodanyl)-4-(phenylcarbonyl)phenoxy]methyl]benzoic acid Openeye Name: 2-acetoxy-5-[(4-benzoyl-2,6-diiodo-phenoxy)methyl]benzoic acid CAS Name: 2-acetyloxy-5-[(4-benzoyl-2,6-diiodophenoxy)methyl]benzoic acid IUPAC Name: 2-acetyloxy-5-[(4-benzoyl-2,6-diiodophenoxy)methyl]benzoic acid Traditional Name: 2-acetoxy-5-[(4-benzoyl-2,6-diiodo-phenoxy)methyl]benzoic acid Formula: C23H16I2O6 MolecularWeight: 642.17848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)COC2=C(C=C(C=C2I)C(=O)C3=CC=CC=C3)I)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)COC2=C(C=C(C=C2I)C(=O)C3=CC=CC=C3)I)C(=O)O

InChI

InChI=1S/C23H16I2O6/c1-13(26)31-20-8-7-14(9-17(20)23(28)29)12-30-22-18(24)10-16(11-19(22)25)21(27)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,28,29)