2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxy-2-ethyl-butanoate

Systemtic Name: 2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxy-2-ethyl-butanoate Openeye Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxy-2-ethyl-butanoate CAS Name: 2-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]-2-ethylbutanoate IUPAC Name: 2-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxy-2-ethylbutanoate Traditional Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxy-2-ethyl-butyrate Formula: C17H18I3N2O6- MolecularWeight: 727.04803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19I3N2O6/c1-5-17(6-2,16(26)27)28-15(25)9-10(18)13(21-7(3)23)12(20)14(11(9)19)22-8(4)24/h5-6H2,1-4H3,(H,21,23)(H,22,24)(H,26,27)/p-1