methyl 4-(6-iodanyl-1,3-benzodioxol-5-yl)-2-[(2-iodanyl-3,4,5-trimethoxy-phenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(6-iodanyl-1,3-benzodioxol-5-yl)-2-[(2-iodanyl-3,4,5-trimethoxy-phenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-[(2-iodo-3,4,5-trimethoxy-phenyl)methyl]-4-oxo-butanoate CAS Name: 4-(6-iodo-1,3-benzodioxol-5-yl)-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]-4-oxobutanoate Traditional Name: 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxy-benzyl)-4-keto-butyric acid methyl ester Formula: C22H22I2O8 MolecularWeight: 668.21422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC(CC(=O)C2=CC3=C(C=C2I)OCO3)C(=O)OC)I)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC(CC(=O)C2=CC3=C(C=C2I)OCO3)C(=O)OC)I)OC)OC

InChI

InChI=1S/C22H22I2O8/c1-27-18-7-11(19(24)21(29-3)20(18)28-2)5-12(22(26)30-4)6-15(25)13-8-16-17(9-14(13)23)32-10-31-16/h7-9,12H,5-6,10H2,1-4H3