4-hexadecoxy-2,6-dipyridin-2-yl-pyridine; iron(2+)

Systemtic Name: 4-hexadecoxy-2,6-dipyridin-2-yl-pyridine; iron(2+) Openeye Name: ferrous 4-hexadecoxy-2,6-bis(2-pyridyl)pyridine CAS Name: 4-hexadecoxy-2,6-bis(2-pyridinyl)pyridine; iron(2+) IUPAC Name: 4-hexadecoxy-2,6-dipyridin-2-ylpyridine; iron(2+) Traditional Name: ferrous 4-cetyloxy-2,6-bis(2-pyridyl)pyridine Formula: C62H86FeN6O2+2 MolecularWeight: 1003.23024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3.CCCCCCCCCCCCCCCCOC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3.[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3.CCCCCCCCCCCCCCCCOC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3.[Fe+2]

InChI

InChI=1S/2C31H43N3O.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-35-27-25-30(28-20-15-17-22-32-28)34-31(26-27)29-21-16-18-23-33-29;/h2*15-18,20-23,25-26H,2-14,19,24H2,1H3;/q;;+2