2-acetyloxyethyl-[3-carboxy-4,5-bis(iodanyl)phenyl]carbonyl-(diethanoylamino)azanium iodide

Systemtic Name: 2-acetyloxyethyl-[3-carboxy-4,5-bis(iodanyl)phenyl]carbonyl-(diethanoylamino)azanium iodide Openeye Name: 2-acetoxyethyl-(3-carboxy-4,5-diiodo-benzoyl)-(diacetylamino)ammonium iodide CAS Name: 2-acetyloxyethyl-[(3-carboxy-4,5-diiodophenyl)-oxomethyl]-(diacetylamino)ammonium iodide IUPAC Name: 2-acetyloxyethyl-(3-carboxy-4,5-diiodobenzoyl)-(diacetylamino)azanium iodide Traditional Name: 2-acetoxyethyl-(3-carboxy-4,5-diiodo-benzoyl)-(diacetylamino)ammonium iodide Formula: C16H17I3N2O7 MolecularWeight: 730.02879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(=O)C)[NH+](CCOC(=O)C)C(=O)C1=CC(=C(C(=C1)I)I)C(=O)O.[I-]

Isomeric SMILES

CC(=O)N(C(=O)C)[NH+](CCOC(=O)C)C(=O)C1=CC(=C(C(=C1)I)I)C(=O)O.[I-]

InChI

InChI=1S/C16H16I2N2O7.HI/c1-8(21)20(9(2)22)19(4-5-27-10(3)23)15(24)11-6-12(16(25)26)14(18)13(17)7-11;/h6-7H,4-5H2,1-3H3,(H,25,26);1H