3-acetamido-2,4,6-tris(iodanyl)-5-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid Openeye Name: 3-acetamido-5-[(4-hydroxy-4-oxo-butyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(4-hydroxy-4-oxobutyl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[(4-hydroxy-4-keto-butyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C14H13I3N2O6 MolecularWeight: 685.97623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13I3N2O6/c1-5(20)19-12-10(16)7(9(15)8(11(12)17)14(24)25)13(23)18-4-2-3-6(21)22/h2-4H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)