methyl 6-iodanyl-4-phenylmethoxy-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-iodanyl-4-phenylmethoxy-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 4-benzyloxy-6-iodo-1,3-benzodioxole-5-carboxylate CAS Name: 6-iodo-4-phenylmethoxy-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-iodo-4-phenylmethoxy-1,3-benzodioxole-5-carboxylate Traditional Name: 4-benzoxy-6-iodo-piperonylic acid methyl ester Formula: C16H13IO5 MolecularWeight: 412.17589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C2C(=C1OCC3=CC=CC=C3)OCO2)I

Isomeric SMILES

COC(=O)C1=C(C=C2C(=C1OCC3=CC=CC=C3)OCO2)I

InChI

InChI=1S/C16H13IO5/c1-19-16(18)13-11(17)7-12-14(22-9-21-12)15(13)20-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3