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

Systemtic Name: methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium; 2-[2,4,6-tris(iodanyl)-3,5-bis(methylcarbamoyl)phenoxy]butanoate Openeye Name: methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate CAS Name: methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate IUPAC Name: methyl(2,3,4,5,6-pentahydroxyhexyl)azanium; 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate Traditional Name: methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butyrate Formula: C21H32I3N3O10 MolecularWeight: 867.20629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C14H15I3N2O5.C7H17NO5/c1-4-5(14(22)23)24-11-9(16)6(12(20)18-2)8(15)7(10(11)17)13(21)19-3;1-8-2-4(10)6(12)7(13)5(11)3-9/h5H,4H2,1-3H3,(H,18,20)(H,19,21)(H,22,23);4-13H,2-3H2,1H3