dioctyl 2,4,6-tris(iodanyl)-5-octoxy-benzene-1,3-dicarboxylate

Systemtic Name: dioctyl 2,4,6-tris(iodanyl)-5-octoxy-benzene-1,3-dicarboxylate Openeye Name: dioctyl 2,4,6-triiodo-5-octoxy-benzene-1,3-dicarboxylate CAS Name: 2,4,6-triiodo-5-octoxybenzene-1,3-dicarboxylic acid dioctyl ester IUPAC Name: dioctyl 2,4,6-triiodo-5-octoxybenzene-1,3-dicarboxylate Traditional Name: 2,4,6-triiodo-5-octoxy-benzene-1,3-dicarboxylic acid dioctyl ester Formula: C32H51I3O5 MolecularWeight: 896.45775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H51I3O5/c1-4-7-10-13-16-19-22-38-30-28(34)25(31(36)39-23-20-17-14-11-8-5-2)27(33)26(29(30)35)32(37)40-24-21-18-15-12-9-6-3/h4-24H2,1-3H3