2-azanyl-3,3-bis(iodanyl)-3-[2-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3,3-bis(iodanyl)-3-[2-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodo-phenyl]-3,3-diiodo-propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodophenyl]-3,3-diiodopropanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodophenyl]-3,3-diiodopropanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodo-phenyl]-3,3-diiodo-propionic acid Formula: C15H12I3NO4 MolecularWeight: 650.97349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=CC(=C(C=C2)C(C(C(=O)O)N)(I)I)I

Isomeric SMILES

C1=CC(=CC=C1O)OC2=CC(=C(C=C2)C(C(C(=O)O)N)(I)I)I

InChI

InChI=1S/C15H12I3NO4/c16-12-7-10(23-9-3-1-8(20)2-4-9)5-6-11(12)15(17,18)13(19)14(21)22/h1-7,13,20H,19H2,(H,21,22)