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

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 3-amino-5-[(5-hydroxy-5-oxo-pentanoyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[(5-hydroxy-1,5-dioxopentyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-[(5-hydroxy-5-oxopentanoyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-[(5-hydroxy-5-keto-pentanoyl)amino]-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I)CC(=O)O

Isomeric SMILES

C(CC(=O)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I)CC(=O)O

InChI

InChI=1S/C12H11I3N2O5/c13-7-6(12(21)22)8(14)11(9(15)10(7)16)17-4(18)2-1-3-5(19)20/h1-3,16H2,(H,17,18)(H,19,20)(H,21,22)