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4-[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)phenoxy]butanoic acid

4-[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)phenoxy]butanoic acid

Systemtic Name:4-[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)phenoxy]butanoic acid
Openeye Name:4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butanoic acid
CAS Name:4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butanoic acid
IUPAC Name:4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butanoic acid
Traditional Name:4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butyric acid
Formula: C12H12I3NO4
MolecularWeight: 614.94139
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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C=C1I)I)OCCCC(=O)O)I


Isomeric SMILES

CNC(=O)C1=C(C(=C(C=C1I)I)OCCCC(=O)O)I


InChI

InChI=1S/C12H12I3NO4/c1-16-12(19)9-6(13)5-7(14)11(10(9)15)20-4-2-3-8(17)18/h5H,2-4H2,1H3,(H,16,19)(H,17,18)


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