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

Systemtic Name: 3-(acetamidomethyl)-5-azanyl-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-amino-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-amino-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-amino-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-amino-2,4,6-triiodo-benzoic acid Formula: C10H9I3N2O3 MolecularWeight: 585.90347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9I3N2O3/c1-3(16)15-2-4-6(11)5(10(17)18)8(13)9(14)7(4)12/h2,14H2,1H3,(H,15,16)(H,17,18)