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

Systemtic Name: 2-azanyl-3-[2,3-bis(iodanyl)-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3-diiodo-phenyl]propionic acid Formula: C15H13I2NO4 MolecularWeight: 525.07696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13I2NO4/c16-13-8(7-11(18)15(20)21)1-6-12(14(13)17)22-10-4-2-9(19)3-5-10/h1-6,11,19H,7,18H2,(H,20,21)