2-azanyl-3-[4-[3,3-bis(iodanyl)-4-oxidanyl-cyclohexa-1,4-dien-1-yl]oxy-3-iodanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[3,3-bis(iodanyl)-4-oxidanyl-cyclohexa-1,4-dien-1-yl]oxy-3-iodanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3,3-diiodo-cyclohexa-1,4-dien-1-yl)oxy-3-iodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(4-hydroxy-3,3-diiodo-1-cyclohexa-1,4-dienyl)oxy]-3-iodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3,3-diiodocyclohexa-1,4-dien-1-yl)oxy-3-iodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3,3-diiodo-cyclohexa-1,4-dien-1-yl)oxy-3-iodo-phenyl]propionic acid Formula: C15H14I3NO4 MolecularWeight: 652.98937

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(C=C1OC2=C(C=C(C=C2)CC(C(=O)O)N)I)(I)I)O

Isomeric SMILES

C1C=C(C(C=C1OC2=C(C=C(C=C2)CC(C(=O)O)N)I)(I)I)O

InChI

InChI=1S/C15H14I3NO4/c16-10-5-8(6-11(19)14(21)22)1-3-12(10)23-9-2-4-13(20)15(17,18)7-9/h1,3-5,7,11,20H,2,6,19H2,(H,21,22)