2-(6-iodanyl-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 2-(6-iodanyl-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-(6-iodo-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-(6-iodo-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-(6-iodo-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-(6-iodo-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C18H17IO6 MolecularWeight: 456.22845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CC2=CC3=C(C=C2I)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CC2=CC3=C(C=C2I)OCO3

InChI

InChI=1S/C18H17IO6/c1-21-16-6-11(7-17(22-2)18(16)23-3)13(20)4-10-5-14-15(8-12(10)19)25-9-24-14/h5-8H,4,9H2,1-3H3