sodium 3-ethyl-4-(3-iodanylpropanoylamino)benzoate

Systemtic Name: sodium 3-ethyl-4-(3-iodanylpropanoylamino)benzoate Openeye Name: sodium 3-ethyl-4-(3-iodopropanoylamino)benzoate CAS Name: sodium 3-ethyl-4-[(3-iodo-1-oxopropyl)amino]benzoate IUPAC Name: sodium 3-ethyl-4-(3-iodopropanoylamino)benzoate Traditional Name: sodium 3-ethyl-4-(3-iodopropanoylamino)benzoate Formula: C12H13INNaO3 MolecularWeight: 369.13076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CCI.[Na+]

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CCI.[Na+]

InChI

InChI=1S/C12H14INO3.Na/c1-2-8-7-9(12(16)17)3-4-10(8)14-11(15)5-6-13;/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H,16,17);/q;+1/p-1