ethyl 4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]-6-(4-chlorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]-6-(4-chlorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-(2-hydroxy-3,5-diiodo-phenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(4-chlorophenyl)-4-(2-hydroxy-3,5-diiodophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-(2-hydroxy-3,5-diiodophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-(2-hydroxy-3,5-diiodo-phenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H17ClI2O4 MolecularWeight: 622.61922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC(=C2O)I)I)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC(=C2O)I)I)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClI2O4/c1-2-28-21(27)19-15(11-3-5-13(22)6-4-11)7-12(8-18(19)25)16-9-14(23)10-17(24)20(16)26/h3-6,8-10,15,19,26H,2,7H2,1H3