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

Systemtic Name: 2-[3-[ethanoyl(propyl)amino]-2,4,6-tris(iodanyl)phenoxy]ethanoic acid Openeye Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodo-phenoxy]acetic acid CAS Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenoxy]acetic acid IUPAC Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenoxy]acetic acid Traditional Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodo-phenoxy]acetic acid Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO4/c1-3-4-17(7(2)18)12-8(14)5-9(15)13(11(12)16)21-6-10(19)20/h5H,3-4,6H2,1-2H3,(H,19,20)