2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxybutanoate

Systemtic Name: 2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxybutanoate Openeye Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxybutanoate CAS Name: 2-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]butanoate IUPAC Name: 2-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxybutanoate Traditional Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxybutyrate Formula: C15H14I3N2O6- MolecularWeight: 698.99487

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCC(C(=O)[O-])OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C15H15I3N2O6/c1-4-7(14(23)24)26-15(25)8-9(16)12(19-5(2)21)11(18)13(10(8)17)20-6(3)22/h7H,4H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/p-1