[bis(2-hydroxyethyl)amino]oxymethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [bis(2-hydroxyethyl)amino]oxymethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [bis(2-hydroxyethyl)amino]oxymethyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [bis(2-hydroxyethyl)amino]oxymethyl ester IUPAC Name: [bis(2-hydroxyethyl)amino]oxymethyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [bis(2-hydroxyethyl)amino]oxymethyl ester Formula: C16H20I3N3O7 MolecularWeight: 747.05931

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCON(CCO)CCO)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCON(CCO)CCO)I)NC(=O)C)I

InChI

InChI=1S/C16H20I3N3O7/c1-8(25)20-14-11(17)10(12(18)15(13(14)19)21-9(2)26)16(27)28-7-29-22(3-5-23)4-6-24/h23-24H,3-7H2,1-2H3,(H,20,25)(H,21,26)