3-(2-iodanyl-4,5-dimethoxy-phenyl)carbonyloxypropyl 4-iodanyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: 3-(2-iodanyl-4,5-dimethoxy-phenyl)carbonyloxypropyl 4-iodanyl-1,3-benzodioxole-5-carboxylate Openeye Name: 3-(2-iodo-4,5-dimethoxy-benzoyl)oxypropyl 4-iodo-1,3-benzodioxole-5-carboxylate CAS Name: 4-iodo-1,3-benzodioxole-5-carboxylic acid 3-[(2-iodo-4,5-dimethoxyphenyl)-oxomethoxy]propyl ester IUPAC Name: 3-(2-iodo-4,5-dimethoxybenzoyl)oxypropyl 4-iodo-1,3-benzodioxole-5-carboxylate Traditional Name: 4-iodo-piperonylic acid 3-(2-iodo-4,5-dimethoxy-benzoyl)oxypropyl ester Formula: C20H18I2O8 MolecularWeight: 640.16106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCCOC(=O)C2=C(C3=C(C=C2)OCO3)I)I)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCCOC(=O)C2=C(C3=C(C=C2)OCO3)I)I)OC

InChI

InChI=1S/C20H18I2O8/c1-25-15-8-12(13(21)9-16(15)26-2)20(24)28-7-3-6-27-19(23)11-4-5-14-18(17(11)22)30-10-29-14/h4-5,8-9H,3,6-7,10H2,1-2H3