5-(3-azanylpropanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-azanylpropanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-aminopropanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-[(3-amino-1-oxopropyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-aminopropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-(3-aminopropanoylamino)-2,4,6-triiodo-isophthalic acid Formula: C11H9I3N2O5 MolecularWeight: 629.91297

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

Isomeric SMILES

C(CN)C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

InChI

InChI=1S/C11H9I3N2O5/c12-6-4(10(18)19)7(13)9(16-3(17)1-2-15)8(14)5(6)11(20)21/h1-2,15H2,(H,16,17)(H,18,19)(H,20,21)