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

Systemtic Name: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I

Isomeric SMILES

CCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I

InChI

InChI=1S/C12H11I3N2O4/c1-3-16-11(19)5-7(13)6(12(20)21)9(15)10(8(5)14)17-4(2)18/h3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)