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

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

Systemtic Name:3-acetamido-5-(butanoylamino)-2,4,6-tris(iodanyl)benzoic acid
Openeye Name:3-acetamido-5-(butanoylamino)-2,4,6-triiodo-benzoic acid
CAS Name:3-acetamido-2,4,6-triiodo-5-(1-oxobutylamino)benzoic acid
IUPAC Name:3-acetamido-5-(butanoylamino)-2,4,6-triiodobenzoic acid
Traditional Name:3-acetamido-5-butyramido-2,4,6-triiodo-benzoic acid
Formula: C13H13I3N2O4
MolecularWeight: 641.96673
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H13I3N2O4/c1-3-4-6(20)18-12-9(15)7(13(21)22)8(14)11(10(12)16)17-5(2)19/h3-4H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)


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