methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium; 2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(propanoylamino)benzoate

Systemtic Name: methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium; 2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(propanoylamino)benzoate Openeye Name: methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate CAS Name: methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2,4,6-triiodo-3-(methylcarbamoyl)-5-(1-oxopropylamino)benzoate IUPAC Name: methyl(2,3,4,5,6-pentahydroxyhexyl)azanium; 2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate Traditional Name: methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2,4,6-triiodo-3-(methylcarbamoyl)-5-propionamido-benzoate Formula: C19H28I3N3O9 MolecularWeight: 823.15373

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C12H11I3N2O4.C7H17NO5/c1-3-4(18)17-10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21);4-13H,2-3H2,1H3