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

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

Systemtic Name:3-acetamido-2,4,6-tris(iodanyl)-5-(pentanoylamino)benzoic acid
Openeye Name:3-acetamido-2,4,6-triiodo-5-(pentanoylamino)benzoic acid
CAS Name:3-acetamido-2,4,6-triiodo-5-(1-oxopentylamino)benzoic acid
IUPAC Name:3-acetamido-2,4,6-triiodo-5-(pentanoylamino)benzoic acid
Traditional Name:3-acetamido-2,4,6-triiodo-5-(valerylamino)benzoic acid
Formula: C14H15I3N2O4
MolecularWeight: 655.99331
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H15I3N2O4/c1-3-4-5-7(21)19-13-10(16)8(14(22)23)9(15)12(11(13)17)18-6(2)20/h3-5H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)


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