3-(2-hydroxyethylcarbamoyl)-2,4,5-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-hydroxyethylcarbamoyl)-2,4,5-tris(iodanyl)benzoic acid Openeye Name: 3-(2-hydroxyethylcarbamoyl)-2,4,5-triiodo-benzoic acid CAS Name: 3-[(2-hydroxyethylamino)-oxomethyl]-2,4,5-triiodobenzoic acid IUPAC Name: 3-(2-hydroxyethylcarbamoyl)-2,4,5-triiodobenzoic acid Traditional Name: 3-(2-hydroxyethylcarbamoyl)-2,4,5-triiodo-benzoic acid Formula: C10H8I3NO4 MolecularWeight: 586.88823

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)I)C(=O)NCCO)I)C(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1I)I)C(=O)NCCO)I)C(=O)O

InChI

InChI=1S/C10H8I3NO4/c11-5-3-4(10(17)18)7(12)6(8(5)13)9(16)14-1-2-15/h3,15H,1-2H2,(H,14,16)(H,17,18)