sodium 2,4,6-tris(iodanyl)-3,5-bis(propanoylamino)benzoate

Systemtic Name: sodium 2,4,6-tris(iodanyl)-3,5-bis(propanoylamino)benzoate Openeye Name: sodium 2,4,6-triiodo-3,5-bis(propanoylamino)benzoate CAS Name: sodium 2,4,6-triiodo-3,5-bis(1-oxopropylamino)benzoate IUPAC Name: sodium 2,4,6-triiodo-3,5-bis(propanoylamino)benzoate Traditional Name: sodium 2,4,6-triiodo-3,5-dipropionamido-benzoate Formula: C13H12I3N2NaO4 MolecularWeight: 663.94856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)CC)I.[Na+]

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)CC)I.[Na+]

InChI

InChI=1S/C13H13I3N2O4.Na/c1-3-5(19)17-11-8(14)7(13(21)22)9(15)12(10(11)16)18-6(20)4-2;/h3-4H2,1-2H3,(H,17,19)(H,18,20)(H,21,22);/q;+1/p-1