sodium 3,5-bis(iodanyl)-2-(2-phenylbutanoylamino)benzoic acid

Systemtic Name: sodium 3,5-bis(iodanyl)-2-(2-phenylbutanoylamino)benzoic acid Openeye Name: sodium 3,5-diiodo-2-(2-phenylbutanoylamino)benzoic acid CAS Name: sodium 3,5-diiodo-2-[(1-oxo-2-phenylbutyl)amino]benzoic acid IUPAC Name: sodium 3,5-diiodo-2-(2-phenylbutanoylamino)benzoic acid Traditional Name: sodium 3,5-diiodo-2-(2-phenylbutanoylamino)benzoic acid Formula: C17H15I2NNaO3+ MolecularWeight: 558.10461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2C(=O)O)I)I.[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2C(=O)O)I)I.[Na+]

InChI

InChI=1S/C17H15I2NO3.Na/c1-2-12(10-6-4-3-5-7-10)16(21)20-15-13(17(22)23)8-11(18)9-14(15)19;/h3-9,12H,2H2,1H3,(H,20,21)(H,22,23);/q;+1