3-azanyl-2,4,6-tris(iodanyl)-5-(3-oxidanylpropylcarbamoyl)benzoic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-(3-oxidanylpropylcarbamoyl)benzoic acid Openeye Name: 3-amino-5-(3-hydroxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[(3-hydroxypropylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-(3-hydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-(3-hydroxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C11H11I3N2O4 MolecularWeight: 615.92945

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)CO

Isomeric SMILES

C(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)CO

InChI

InChI=1S/C11H11I3N2O4/c12-6-4(10(18)16-2-1-3-17)7(13)9(15)8(14)5(6)11(19)20/h17H,1-3,15H2,(H,16,18)(H,19,20)