[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-iodanyl-4-methoxy-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-iodanyl-4-methoxy-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 3-iodo-4-methoxy-benzoate CAS Name: 3-iodo-4-methoxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-iodo-4-methoxybenzoate Traditional Name: 3-iodo-4-methoxy-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C18H15IO6 MolecularWeight: 454.21257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3)I

InChI

InChI=1S/C18H15IO6/c1-22-15-4-3-12(8-13(15)19)18(21)25-10-14(20)11-2-5-16-17(9-11)24-7-6-23-16/h2-5,8-9H,6-7,10H2,1H3