3,5-diacetamido-2,5,6-tris(iodanyl)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3,5-diacetamido-2,5,6-tris(iodanyl)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3,5-diacetamido-2,5,6-triiodo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3,5-diacetamido-2,5,6-triiodo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3,5-diacetamido-2,5,6-triiodocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3,5-diacetamido-2,5,6-triiodo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C11H11I3N2O4 MolecularWeight: 615.92945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11I3N2O4/c1-4(17)15-6-3-11(14,16-5(2)18)9(13)7(8(6)12)10(19)20/h3,9H,1-2H3,(H,15,17)(H,16,18)(H,19,20)