ethyl 2-diphenylphosphanylcyclopentane-1-carboxylate; iron(2+)

Systemtic Name: ethyl 2-diphenylphosphanylcyclopentane-1-carboxylate; iron(2+) Openeye Name: ferrous ethyl 2-diphenylphosphanylcyclopentanecarboxylate CAS Name: 2-diphenylphosphino-1-cyclopentanecarboxylic acid ethyl ester; iron(2+) IUPAC Name: ethyl 2-diphenylphosphanylcyclopentane-1-carboxylate; iron(2+) Traditional Name: ferrous 2-diphenylphosphinocyclopentanecarboxylic acid ethyl ester Formula: C40H36FeO4P2+2 MolecularWeight: 698.503962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.CCOC(=O)[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]

Isomeric SMILES

CCOC(=O)[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.CCOC(=O)[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/2C20H18O2P.Fe/c2*1-2-22-20(21)18-14-9-15-19(18)23(16-10-5-3-6-11-16)17-12-7-4-8-13-17;/h2*3-15H,2H2,1H3;/q;;+2