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azane; ethanamide; 2,4,6-tris(iodanyl)-3-methyl-benzoic acid

azane; ethanamide; 2,4,6-tris(iodanyl)-3-methyl-benzoic acid

Systemtic Name:azane; ethanamide; 2,4,6-tris(iodanyl)-3-methyl-benzoic acid
Openeye Name:acetamide; ammonia; 2,4,6-triiodo-3-methyl-benzoic acid
CAS Name:acetamide; ammonia; 2,4,6-triiodo-3-methylbenzoic acid
IUPAC Name:acetamide; azane; 2,4,6-triiodo-3-methylbenzoic acid
Traditional Name:acetamide; ammonia; 2,4,6-triiodo-3-methyl-benzoic acid
Formula: C10H13I3N2O3
MolecularWeight: 589.93523
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1I)C(=O)O)I)I.CC(=O)N.N


Isomeric SMILES

CC1=C(C=C(C(=C1I)C(=O)O)I)I.CC(=O)N.N


InChI

InChI=1S/C8H5I3O2.C2H5NO.H3N/c1-3-4(9)2-5(10)6(7(3)11)8(12)13;1-2(3)4;/h2H,1H3,(H,12,13);1H3,(H2,3,4);1H3


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