2-diethoxyphosphorylethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 2-diethoxyphosphorylethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 2-diethoxyphosphorylethyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid 2-diethoxyphosphorylethyl ester IUPAC Name: 2-diethoxyphosphorylethyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid 2-diethoxyphosphorylethyl ester Formula: C17H22I3N2O7P MolecularWeight: 778.052951

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)OCC

Isomeric SMILES

CCOP(=O)(CCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)OCC

InChI

InChI=1S/C17H22I3N2O7P/c1-5-28-30(26,29-6-2)8-7-27-17(25)11-12(18)15(21-9(3)23)14(20)16(13(11)19)22-10(4)24/h5-8H2,1-4H3,(H,21,23)(H,22,24)