2-phenyl-2-[2,4,6-tris(iodanyl)-3-[methyl(propanoyl)amino]phenoxy]ethanoic acid

Systemtic Name: 2-phenyl-2-[2,4,6-tris(iodanyl)-3-[methyl(propanoyl)amino]phenoxy]ethanoic acid Openeye Name: 2-phenyl-2-[2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy]acetic acid CAS Name: 2-phenyl-2-[2,4,6-triiodo-3-[methyl(1-oxopropyl)amino]phenoxy]acetic acid IUPAC Name: 2-phenyl-2-[2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy]acetic acid Traditional Name: 2-phenyl-2-[2,4,6-triiodo-3-[methyl(propionyl)amino]phenoxy]acetic acid Formula: C18H16I3NO4 MolecularWeight: 691.03735

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C1=C(C(=C(C=C1I)I)OC(C2=CC=CC=C2)C(=O)O)I

Isomeric SMILES

CCC(=O)N(C)C1=C(C(=C(C=C1I)I)OC(C2=CC=CC=C2)C(=O)O)I

InChI

InChI=1S/C18H16I3NO4/c1-3-13(23)22(2)15-11(19)9-12(20)17(14(15)21)26-16(18(24)25)10-7-5-4-6-8-10/h4-9,16H,3H2,1-2H3,(H,24,25)