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3-acetamido-2,4,6-tris(iodanyl)-5-(octanoylamino)benzoic acid

3-acetamido-2,4,6-tris(iodanyl)-5-(octanoylamino)benzoic acid

Systemtic Name:3-acetamido-2,4,6-tris(iodanyl)-5-(octanoylamino)benzoic acid
Openeye Name:3-acetamido-2,4,6-triiodo-5-(octanoylamino)benzoic acid
CAS Name:3-acetamido-2,4,6-triiodo-5-(1-oxooctylamino)benzoic acid
IUPAC Name:3-acetamido-2,4,6-triiodo-5-(octanoylamino)benzoic acid
Traditional Name:3-acetamido-5-(caprylylamino)-2,4,6-triiodo-benzoic acid
Formula: C17H21I3N2O4
MolecularWeight: 698.07305
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H21I3N2O4/c1-3-4-5-6-7-8-10(24)22-16-13(19)11(17(25)26)12(18)15(14(16)20)21-9(2)23/h3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)


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