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

Systemtic Name: 2-oxidanylbutanoyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 2-hydroxybutanoyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (2-hydroxy-1-oxobutyl) ester IUPAC Name: 2-hydroxybutanoyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid 2-hydroxybutanoyl ester Formula: C15H15I3N2O6 MolecularWeight: 700.00281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)O

Isomeric SMILES

CCC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)O

InChI

InChI=1S/C15H15I3N2O6/c1-4-7(23)14(24)26-15(25)8-9(16)12(19-5(2)21)11(18)13(10(8)17)20-6(3)22/h7,23H,4H2,1-3H3,(H,19,21)(H,20,22)