1-(6-iodanyl-1,3-benzodioxol-5-yl)-4-(3,4,5-trimethoxyphenyl)butan-1-one

Systemtic Name: 1-(6-iodanyl-1,3-benzodioxol-5-yl)-4-(3,4,5-trimethoxyphenyl)butan-1-one Openeye Name: 1-(6-iodo-1,3-benzodioxol-5-yl)-4-(3,4,5-trimethoxyphenyl)butan-1-one CAS Name: 1-(6-iodo-1,3-benzodioxol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1-butanone IUPAC Name: 1-(6-iodo-1,3-benzodioxol-5-yl)-4-(3,4,5-trimethoxyphenyl)butan-1-one Traditional Name: 1-(6-iodo-1,3-benzodioxol-5-yl)-4-(3,4,5-trimethoxyphenyl)butan-1-one Formula: C20H21IO6 MolecularWeight: 484.28161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCCC(=O)C2=CC3=C(C=C2I)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCCC(=O)C2=CC3=C(C=C2I)OCO3

InChI

InChI=1S/C20H21IO6/c1-23-18-7-12(8-19(24-2)20(18)25-3)5-4-6-15(22)13-9-16-17(10-14(13)21)27-11-26-16/h7-10H,4-6,11H2,1-3H3