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

Systemtic Name: 2,4,6-tris(iodanyl)-3-(octanoylamino)benzoic acid Openeye Name: 2,4,6-triiodo-3-(octanoylamino)benzoic acid CAS Name: 2,4,6-triiodo-3-(1-oxooctylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3-(octanoylamino)benzoic acid Traditional Name: 3-(caprylylamino)-2,4,6-triiodo-benzoic acid Formula: C15H18I3NO3 MolecularWeight: 641.02173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO3/c1-2-3-4-5-6-7-11(20)19-14-10(17)8-9(16)12(13(14)18)15(21)22/h8H,2-7H2,1H3,(H,19,20)(H,21,22)