3-acetamido-2,4,6-tris(iodanyl)-5-(phenylcarbamoyl)benzoic acid

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(phenylcarbamoyl)benzoic acid Openeye Name: 3-acetamido-2,4,6-triiodo-5-(phenylcarbamoyl)benzoic acid CAS Name: 3-acetamido-5-[anilino(oxo)methyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(phenylcarbamoyl)benzoic acid Traditional Name: 3-acetamido-2,4,6-triiodo-5-(phenylcarbamoyl)benzoic acid Formula: C16H11I3N2O4 MolecularWeight: 675.98295

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC2=CC=CC=C2)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC2=CC=CC=C2)I

InChI

InChI=1S/C16H11I3N2O4/c1-7(22)20-14-12(18)9(11(17)10(13(14)19)16(24)25)15(23)21-8-5-3-2-4-6-8/h2-6H,1H3,(H,20,22)(H,21,23)(H,24,25)