2-acetamido-3-[3,5-bis(iodanyl)-4-[(3-iodanylphenyl)methoxy]phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3,5-bis(iodanyl)-4-[(3-iodanylphenyl)methoxy]phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3,5-diiodo-4-[(3-iodophenyl)methoxy]phenyl]propanoic acid CAS Name: 2-acetamido-3-[3,5-diiodo-4-[(3-iodophenyl)methoxy]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3,5-diiodo-4-[(3-iodophenyl)methoxy]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[3,5-diiodo-4-(3-iodobenzyl)oxy-phenyl]propionic acid Formula: C18H16I3NO4 MolecularWeight: 691.03735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)I)OCC2=CC(=CC=C2)I)I)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1)I)OCC2=CC(=CC=C2)I)I)C(=O)O

InChI

InChI=1S/C18H16I3NO4/c1-10(23)22-16(18(24)25)8-12-6-14(20)17(15(21)7-12)26-9-11-3-2-4-13(19)5-11/h2-7,16H,8-9H2,1H3,(H,22,23)(H,24,25)