2,4,6-tris(iodanyl)-3-(2-oxidanylidenepropylamino)benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3-(2-oxidanylidenepropylamino)benzoic acid Openeye Name: 3-(acetonylamino)-2,4,6-triiodo-benzoic acid CAS Name: 2,4,6-triiodo-3-(2-oxopropylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3-(2-oxopropylamino)benzoic acid Traditional Name: 3-(acetonylamino)-2,4,6-triiodo-benzoic acid Formula: C10H8I3NO3 MolecularWeight: 570.88883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=C(C=C(C(=C1I)C(=O)O)I)I

Isomeric SMILES

CC(=O)CNC1=C(C=C(C(=C1I)C(=O)O)I)I

InChI

InChI=1S/C10H8I3NO3/c1-4(15)3-14-9-6(12)2-5(11)7(8(9)13)10(16)17/h2,14H,3H2,1H3,(H,16,17)