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

Systemtic Name: 2-hydroxyethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 2-hydroxyethyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid 2-hydroxyethyl ester Formula: C13H13I3N2O5 MolecularWeight: 657.96613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCO)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCO)I)NC(=O)C)I

InChI

InChI=1S/C13H13I3N2O5/c1-5(20)17-11-8(14)7(13(22)23-4-3-19)9(15)12(10(11)16)18-6(2)21/h19H,3-4H2,1-2H3,(H,17,20)(H,18,21)