4-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,6-bis(iodanyl)phenoxy]benzoic acid

Systemtic Name: 4-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,6-bis(iodanyl)phenoxy]benzoic acid Openeye Name: 4-[4-(2-amino-3-hydroxy-3-oxo-propyl)-2,6-diiodo-phenoxy]benzoic acid CAS Name: 4-[4-(2-amino-3-hydroxy-3-oxopropyl)-2,6-diiodophenoxy]benzoic acid IUPAC Name: 4-[4-(2-amino-3-hydroxy-3-oxopropyl)-2,6-diiodophenoxy]benzoic acid Traditional Name: 4-[4-(2-amino-3-hydroxy-3-keto-propyl)-2,6-diiodo-phenoxy]benzoic acid Formula: C16H13I2NO5 MolecularWeight: 553.08706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

InChI

InChI=1S/C16H13I2NO5/c17-11-5-8(7-13(19)16(22)23)6-12(18)14(11)24-10-3-1-9(2-4-10)15(20)21/h1-6,13H,7,19H2,(H,20,21)(H,22,23)