ethyl 2,4,6-tris(iodanyl)-3-octoxy-benzoate

Systemtic Name: ethyl 2,4,6-tris(iodanyl)-3-octoxy-benzoate Openeye Name: ethyl 2,4,6-triiodo-3-octoxy-benzoate CAS Name: 2,4,6-triiodo-3-octoxybenzoic acid ethyl ester IUPAC Name: ethyl 2,4,6-triiodo-3-octoxybenzoate Traditional Name: 2,4,6-triiodo-3-octoxy-benzoic acid ethyl ester Formula: C17H23I3O3 MolecularWeight: 656.07613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1I)C(=O)OCC)I)I

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1I)C(=O)OCC)I)I

InChI

InChI=1S/C17H23I3O3/c1-3-5-6-7-8-9-10-23-16-13(19)11-12(18)14(15(16)20)17(21)22-4-2/h11H,3-10H2,1-2H3