(6-ethoxy-6-oxidanylidene-hexyl) 3,5-bis(diethanoylamino)-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (6-ethoxy-6-oxidanylidene-hexyl) 3,5-bis(diethanoylamino)-2,4,6-tris(iodanyl)benzoate Openeye Name: (6-ethoxy-6-oxo-hexyl) 3,5-bis(diacetylamino)-2,4,6-triiodo-benzoate CAS Name: 3,5-bis(diacetylamino)-2,4,6-triiodobenzoic acid (6-ethoxy-6-oxohexyl) ester IUPAC Name: (6-ethoxy-6-oxohexyl) 3,5-bis(diacetylamino)-2,4,6-triiodobenzoate Traditional Name: 3,5-bis(diacetylamino)-2,4,6-triiodo-benzoic acid (6-ethoxy-6-keto-hexyl) ester Formula: C23H27I3N2O8 MolecularWeight: 840.18249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC(=O)C1=C(C(=C(C(=C1I)N(C(=O)C)C(=O)C)I)N(C(=O)C)C(=O)C)I

Isomeric SMILES

CCOC(=O)CCCCCOC(=O)C1=C(C(=C(C(=C1I)N(C(=O)C)C(=O)C)I)N(C(=O)C)C(=O)C)I

InChI

InChI=1S/C23H27I3N2O8/c1-6-35-16(33)10-8-7-9-11-36-23(34)17-18(24)21(27(12(2)29)13(3)30)20(26)22(19(17)25)28(14(4)31)15(5)32/h6-11H2,1-5H3