sodium 2,4,6-tris(iodanyl)-3-(2-methylpropanoylamino)benzoate

Systemtic Name: sodium 2,4,6-tris(iodanyl)-3-(2-methylpropanoylamino)benzoate Openeye Name: sodium 2,4,6-triiodo-3-(2-methylpropanoylamino)benzoate CAS Name: sodium 2,4,6-triiodo-3-[(2-methyl-1-oxopropyl)amino]benzoate IUPAC Name: sodium 2,4,6-triiodo-3-(2-methylpropanoylamino)benzoate Traditional Name: sodium 2,4,6-triiodo-3-(isobutyrylamino)benzoate Formula: C11H9I3NNaO3 MolecularWeight: 606.89724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10I3NO3.Na/c1-4(2)10(16)15-9-6(13)3-5(12)7(8(9)14)11(17)18;/h3-4H,1-2H3,(H,15,16)(H,17,18);/q;+1/p-1