2-[2-hydroxyethyl-(phenylmethyl)amino]ethanol; iron; iron(2+)

Systemtic Name: 2-[2-hydroxyethyl-(phenylmethyl)amino]ethanol; iron; iron(2+) Openeye Name: triferrous; 2-[benzyl(2-hydroxyethyl)amino]ethanol; iron CAS Name: 2-[2-hydroxyethyl-(phenylmethyl)amino]ethanol; iron; iron(2+) IUPAC Name: 2-[benzyl(2-hydroxyethyl)amino]ethanol; iron; iron(2+) Traditional Name: triferrous; 2-[benzyl(2-hydroxyethyl)amino]ethanol; iron Formula: C66H102Fe4N6O12+6 MolecularWeight: 1394.92908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.[Fe].[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.C1=CC=C(C=C1)CN(CCO)CCO.[Fe].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/6C11H17NO2.4Fe/c6*13-8-6-12(7-9-14)10-11-4-2-1-3-5-11;;;;/h6*1-5,13-14H,6-10H2;;;;/q;;;;;;;3*+2