4-[2,6-bis(iodanyl)-4-(4-methoxyphenyl)carbonyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2,6-bis(iodanyl)-4-(4-methoxyphenyl)carbonyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[2,6-diiodo-4-(4-methoxybenzoyl)phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2,6-diiodo-4-[(4-methoxyphenyl)-oxomethyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[2,6-diiodo-4-(4-methoxybenzoyl)phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-(2,6-diiodo-4-p-anisoyl-phenoxy)sulfonyl-2-hydroxy-benzoic acid Formula: C21H14I2O8S MolecularWeight: 680.205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)I)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)I

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)I)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)I

InChI

InChI=1S/C21H14I2O8S/c1-30-13-4-2-11(3-5-13)19(25)12-8-16(22)20(17(23)9-12)31-32(28,29)14-6-7-15(21(26)27)18(24)10-14/h2-10,24H,1H3,(H,26,27)