2-[3-[ethanoyl(propyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-[ethanoyl(propyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodo-phenyl]acetic acid CAS Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenyl]acetic acid IUPAC Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenyl]acetic acid Traditional Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodo-phenyl]acetic acid Formula: C13H14I3NO3 MolecularWeight: 612.96857

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)C

Isomeric SMILES

CCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)C

InChI

InChI=1S/C13H14I3NO3/c1-3-4-17(7(2)18)13-10(15)6-9(14)8(12(13)16)5-11(19)20/h6H,3-5H2,1-2H3,(H,19,20)