cyclopentane; di(cyclopentyl)-phenyl-phosphane; iron(2+)

Systemtic Name: cyclopentane; di(cyclopentyl)-phenyl-phosphane; iron(2+) Openeye Name: triferrous; cyclopentane; di(cyclopentyl)-phenyl-phosphane CAS Name: cyclopentane; di(cyclopentyl)-phenylphosphine; iron(2+) IUPAC Name: cyclopentane; di(cyclopentyl)-phenylphosphane; iron(2+) Traditional Name: triferrous; cyclopentane; di(cyclopentyl)-phenyl-phosphine Formula: C42H36Fe3P2+6 MolecularWeight: 770.217762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)P([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P([C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/2C16H13P.2C5H5.3Fe/c2*1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16;2*1-2-4-5-3-1;;;/h2*1-13H;2*1-5H;;;/q;;;;3*+2