3-(acetamidomethyl)-5-aminocarbonyl-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-aminocarbonyl-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-carbamoyl-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-carbamoyl-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-carbamoyl-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-carbamoyl-2,4,6-triiodo-benzoic acid Formula: C11H9I3N2O4 MolecularWeight: 613.91357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I

InChI

InChI=1S/C11H9I3N2O4/c1-3(17)16-2-4-7(12)5(10(15)18)9(14)6(8(4)13)11(19)20/h2H2,1H3,(H2,15,18)(H,16,17)(H,19,20)