2-azanyl-3-[5,5-bis(iodanyl)-4-(4-oxidanylphenoxy)cyclohexa-1,3-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5,5-bis(iodanyl)-4-(4-oxidanylphenoxy)cyclohexa-1,3-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-5,5-diiodo-cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-5,5-diiodo-1-cyclohexa-1,3-dienyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-5,5-diiodocyclohexa-1,3-dien-1-yl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-5,5-diiodo-cyclohexa-1,3-dien-1-yl]propionic acid Formula: C15H15I2NO4 MolecularWeight: 527.09284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1(I)I)OC2=CC=C(C=C2)O)CC(C(=O)O)N

Isomeric SMILES

C1C(=CC=C(C1(I)I)OC2=CC=C(C=C2)O)CC(C(=O)O)N

InChI

InChI=1S/C15H15I2NO4/c16-15(17)8-9(7-12(18)14(20)21)1-6-13(15)22-11-4-2-10(19)3-5-11/h1-6,12,19H,7-8,18H2,(H,20,21)