2-[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyloxybutanoic acid

Systemtic Name: 2-[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyloxybutanoic acid Openeye Name: 2-(3-amino-2,4,6-triiodo-benzoyl)oxybutanoic acid CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)-oxomethoxy]butanoic acid IUPAC Name: 2-(3-amino-2,4,6-triiodobenzoyl)oxybutanoic acid Traditional Name: 2-(3-amino-2,4,6-triiodo-benzoyl)oxybutyric acid Formula: C11H10I3NO4 MolecularWeight: 600.91481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC(=O)C1=C(C(=C(C=C1I)I)N)I

Isomeric SMILES

CCC(C(=O)O)OC(=O)C1=C(C(=C(C=C1I)I)N)I

InChI

InChI=1S/C11H10I3NO4/c1-2-6(10(16)17)19-11(18)7-4(12)3-5(13)9(15)8(7)14/h3,6H,2,15H2,1H3,(H,16,17)