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

Systemtic Name: 3-acetamido-5-[(3,3-diacetyloxy-2-methyl-propyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[(3,3-diacetoxy-2-methyl-propyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[(3,3-diacetyloxy-2-methylpropyl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(3,3-diacetyloxy-2-methylpropyl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[(3,3-diacetoxy-2-methyl-propyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C18H19I3N2O8 MolecularWeight: 772.06547

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I)C(OC(=O)C)OC(=O)C

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I)C(OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H19I3N2O8/c1-6(18(30-8(3)25)31-9(4)26)5-22-16(27)10-12(19)11(17(28)29)14(21)15(13(10)20)23-7(2)24/h6,18H,5H2,1-4H3,(H,22,27)(H,23,24)(H,28,29)