[2-(dibutylamino)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-(dibutylamino)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(dibutylamino)-2-oxo-ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(dibutylamino)-2-oxoethyl] ester IUPAC Name: [2-(dibutylamino)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-(dibutylamino)-2-keto-ethyl] ester Formula: C21H28I3N3O5 MolecularWeight: 783.17753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCCCN(CCCC)C(=O)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C21H28I3N3O5/c1-5-7-9-27(10-8-6-2)14(30)11-32-21(31)15-16(22)19(25-12(3)28)18(24)20(17(15)23)26-13(4)29/h5-11H2,1-4H3,(H,25,28)(H,26,29)