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

Systemtic Name: [2-(2-ethoxy-2-oxidanylidene-ethyl)phenyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(2-ethoxy-2-oxo-ethyl)phenyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(2-ethoxy-2-oxoethyl)phenyl] ester IUPAC Name: [2-(2-ethoxy-2-oxoethyl)phenyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-(2-ethoxy-2-keto-ethyl)phenyl] ester Formula: C21H19I3N2O6 MolecularWeight: 776.09877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC=C1OC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)CC1=CC=CC=C1OC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C21H19I3N2O6/c1-4-31-14(29)9-12-7-5-6-8-13(12)32-21(30)15-16(22)19(25-10(2)27)18(24)20(17(15)23)26-11(3)28/h5-8H,4,9H2,1-3H3,(H,25,27)(H,26,28)