3-acetamido-2,4,6-tris(iodanyl)-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 3-acetamido-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[(1-hydroxy-2-methylpropan-2-yl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C14H15I3N2O5 MolecularWeight: 671.99271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15I3N2O5/c1-5(21)18-11-9(16)6(12(22)19-14(2,3)4-20)8(15)7(10(11)17)13(23)24/h20H,4H2,1-3H3,(H,18,21)(H,19,22)(H,23,24)