3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-phenyl-propanoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-phenyl-propanoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 3-(4-hydroxy-3,5-diiodo-phenyl)-2-phenyl-propanoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 3-(4-hydroxy-3,5-diiodo-phenyl)-2-phenyl-propionic acid; 2-(2-hydroxyethylamino)ethanol Formula: C19H23I2NO5 MolecularWeight: 599.19856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)I)O)I)C(=O)O.C(CO)NCCO

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)I)O)I)C(=O)O.C(CO)NCCO

InChI

InChI=1S/C15H12I2O3.C4H11NO2/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10;6-3-1-5-2-4-7/h1-5,7-8,11,18H,6H2,(H,19,20);5-7H,1-4H2