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

Systemtic Name: sodium 3-acetamido-5-[(1,3-diacetyloxy-2-methyl-propan-2-yl)carbamoyl]-2,4,6-tris(iodanyl)benzoate Openeye Name: sodium 3-acetamido-5-[[2-acetoxy-1-(acetoxymethyl)-1-methyl-ethyl]carbamoyl]-2,4,6-triiodo-benzoate CAS Name: sodium 3-acetamido-5-[[(1,3-diacetyloxy-2-methylpropan-2-yl)amino]-oxomethyl]-2,4,6-triiodobenzoate IUPAC Name: sodium 3-acetamido-5-[(1,3-diacetyloxy-2-methylpropan-2-yl)carbamoyl]-2,4,6-triiodobenzoate Traditional Name: sodium 3-acetamido-5-[[2-acetoxy-1-(acetoxymethyl)-1-methyl-ethyl]carbamoyl]-2,4,6-triiodo-benzoate Formula: C18H18I3N2NaO8 MolecularWeight: 794.0473

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C18H19I3N2O8.Na/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);/q;+1/p-1