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

Systemtic Name: 3-acetamido-5-[(1,3-diacetyloxy-2-methyl-propan-2-yl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[[2-acetoxy-1-(acetoxymethyl)-1-methyl-ethyl]carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[(1,3-diacetyloxy-2-methylpropan-2-yl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(1,3-diacetyloxy-2-methylpropan-2-yl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[[2-acetoxy-1-(acetoxymethyl)-1-methyl-ethyl]carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C18H19I3N2O8 MolecularWeight: 772.06547

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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)(COC(=O)C)COC(=O)C)I

Isomeric SMILES

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

InChI

InChI=1S/C18H19I3N2O8/c1-7(24)22-15-13(20)10(12(19)11(14(15)21)17(28)29)16(27)23-18(4,5-30-8(2)25)6-31-9(3)26/h5-6H2,1-4H3,(H,22,24)(H,23,27)(H,28,29)