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

Systemtic Name: 2-[3-[ethanoyl(propyl)amino]-2,4,6-tris(iodanyl)phenoxy]hexanoic acid Openeye Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodo-phenoxy]hexanoic acid CAS Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenoxy]hexanoic acid IUPAC Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenoxy]hexanoic acid Traditional Name: 2-[3-[acetyl(propyl)amino]-2,4,6-triiodo-phenoxy]hexanoic acid Formula: C17H22I3NO4 MolecularWeight: 685.07429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CCC)C(=O)C)I)I

Isomeric SMILES

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CCC)C(=O)C)I)I

InChI

InChI=1S/C17H22I3NO4/c1-4-6-7-13(17(23)24)25-16-12(19)9-11(18)15(14(16)20)21(8-5-2)10(3)22/h9,13H,4-8H2,1-3H3,(H,23,24)