dizinc; 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol; cyclopentane; iron(2+)

Systemtic Name: dizinc; 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol; cyclopentane; iron(2+) Openeye Name: ferrous; dizinc; 2,6-bis[[bis(2-pyridylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol; cyclopentane CAS Name: dizinc; 2,6-bis[[bis(2-pyridinylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol; cyclopentane; iron(2+) IUPAC Name: dizinc; 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol; cyclopentane; iron(2+) Traditional Name: ferrous; dizinc; 2,6-bis[[bis(2-pyridylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol; cyclopentane Formula: C44H40FeN6OZn2+6 MolecularWeight: 855.491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC(=CC(=C3O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)C#C[C]6[CH][CH][CH][CH]6.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Zn+2].[Zn+2]

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC(=CC(=C3O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)C#C[C]6[CH][CH][CH][CH]6.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Zn+2].[Zn+2]

InChI

InChI=1S/C39H35N6O.C5H5.Fe.2Zn/c46-39-33(25-44(27-35-13-3-7-19-40-35)28-36-14-4-8-20-41-36)23-32(18-17-31-11-1-2-12-31)24-34(39)26-45(29-37-15-5-9-21-42-37)30-38-16-6-10-22-43-38;1-2-4-5-3-1;;;/h1-16,19-24,46H,25-30H2;1-5H;;;/q;;3*+2