2-[bis(2-hydroxyethyl)amino]ethanol; 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hydroxy-3,5-diiodo-benzonitrile CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hydroxy-3,5-diiodobenzonitrile IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hydroxy-3,5-diiodobenzonitrile Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hydroxy-3,5-diiodo-benzonitrile Formula: C13H18I2N2O4 MolecularWeight: 520.10196

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)O)I)C#N.C(CO)N(CCO)CCO

Isomeric SMILES

C1=C(C=C(C(=C1I)O)I)C#N.C(CO)N(CCO)CCO

InChI

InChI=1S/C7H3I2NO.C6H15NO3/c8-5-1-4(3-10)2-6(9)7(5)11;8-4-1-7(2-5-9)3-6-10/h1-2,11H;8-10H,1-6H2