2,4,6-tris(iodanyl)-3,5-bis[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3,5-bis[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 3,5-bis[(5-hydroxy-5-oxo-pentanoyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3,5-bis[(5-hydroxy-1,5-dioxopentyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3,5-bis[(5-hydroxy-5-oxopentanoyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3,5-bis[(5-hydroxy-5-keto-pentanoyl)amino]-2,4,6-triiodo-benzoic acid Formula: C17H17I3N2O8 MolecularWeight: 758.03889

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC(=O)O)I)CC(=O)O

Isomeric SMILES

C(CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC(=O)O)I)CC(=O)O

InChI

InChI=1S/C17H17I3N2O8/c18-12-11(17(29)30)13(19)16(22-8(24)4-2-6-10(27)28)14(20)15(12)21-7(23)3-1-5-9(25)26/h1-6H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)(H,29,30)