iron(2+); propan-2-yl 2-diphenylphosphanylcyclopentane-1-carboxylate

Systemtic Name: iron(2+); propan-2-yl 2-diphenylphosphanylcyclopentane-1-carboxylate Openeye Name: ferrous isopropyl 2-diphenylphosphanylcyclopentanecarboxylate CAS Name: 2-diphenylphosphino-1-cyclopentanecarboxylic acid propan-2-yl ester; iron(2+) IUPAC Name: iron(2+); propan-2-yl 2-diphenylphosphanylcyclopentane-1-carboxylate Traditional Name: ferrous 2-diphenylphosphinocyclopentanecarboxylic acid isopropyl ester Formula: C42H40FeO4P2+2 MolecularWeight: 726.557122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H20O2P.Fe/c2*1-16(2)23-21(22)19-14-9-15-20(19)24(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h2*3-16H,1-2H3;/q;;+2