2,4,6-tris(iodanyl)-3-(octylamino)benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3-(octylamino)benzoic acid Openeye Name: 2,4,6-triiodo-3-(octylamino)benzoic acid CAS Name: 2,4,6-triiodo-3-(octylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3-(octylamino)benzoic acid Traditional Name: 2,4,6-triiodo-3-(octylamino)benzoic acid Formula: C15H20I3NO2 MolecularWeight: 627.03821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C(C=C(C(=C1I)C(=O)O)I)I

Isomeric SMILES

CCCCCCCCNC1=C(C=C(C(=C1I)C(=O)O)I)I

InChI

InChI=1S/C15H20I3NO2/c1-2-3-4-5-6-7-8-19-14-11(17)9-10(16)12(13(14)18)15(20)21/h9,19H,2-8H2,1H3,(H,20,21)