cyclopentane; 2,6-dimethylhepta-1,6-dien-4-yl 2-diphenylphosphanylcyclopentane-1-carboxylate; iron(2+)

Systemtic Name: cyclopentane; 2,6-dimethylhepta-1,6-dien-4-yl 2-diphenylphosphanylcyclopentane-1-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; [3-methyl-1-(2-methylallyl)but-3-enyl] 2-diphenylphosphanylcyclopentanecarboxylate CAS Name: cyclopentane; 2-diphenylphosphino-1-cyclopentanecarboxylic acid 2,6-dimethylhepta-1,6-dien-4-yl ester; iron(2+) IUPAC Name: cyclopentane; 2,6-dimethylhepta-1,6-dien-4-yl 2-diphenylphosphanylcyclopentane-1-carboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; 2-diphenylphosphinocyclopentanecarboxylic acid [3-methyl-1-(2-methylallyl)but-3-enyl] ester Formula: C32H33FeO2P+2 MolecularWeight: 536.421981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O2P.C5H5.Fe/c1-20(2)18-22(19-21(3)4)29-27(28)25-16-11-17-26(25)30(23-12-7-5-8-13-23)24-14-9-6-10-15-24;1-2-4-5-3-1;/h5-17,22H,1,3,18-19H2,2,4H3;1-5H;/q;;+2