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

Systemtic Name: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate; methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium Openeye Name: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoate; methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium CAS Name: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate; methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium IUPAC Name: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate; methyl(2,3,4,5,6-pentahydroxyhexyl)azanium Traditional Name: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]butyrate; methyl(2,3,4,5,6-pentahydroxyhexyl)ammonium Formula: C23H36I3N3O10 MolecularWeight: 895.25945

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H19I3N2O5.C7H17NO5/c1-4-7(16(24)25)26-13-11(18)8(14(22)20-5-2)10(17)9(12(13)19)15(23)21-6-3;1-8-2-4(10)6(12)7(13)5(11)3-9/h7H,4-6H2,1-3H3,(H,20,22)(H,21,23)(H,24,25);4-13H,2-3H2,1H3