cyclopentane; 1-(2-diphenylphosphanylcyclopentyl)ethyl-diphenyl-phosphane; iridium; iron(2+); dichloride

Systemtic Name: cyclopentane; 1-(2-diphenylphosphanylcyclopentyl)ethyl-diphenyl-phosphane; iridium; iron(2+); dichloride Openeye Name: diferrous; cyclopentane; 1-(2-diphenylphosphanylcyclopentyl)ethyl-diphenyl-phosphane; iridium; dichloride CAS Name: cyclopentane; 1-(2-diphenylphosphinocyclopentyl)ethyl-diphenylphosphine; iridium; iron(2+); dichloride IUPAC Name: cyclopentane; 1-(2-diphenylphosphanylcyclopentyl)ethyl-diphenylphosphane; iridium; iron(2+); dichloride Traditional Name: diferrous; cyclopentane; 1-(2-diphenylphosphinocyclopentyl)ethyl-diphenyl-phosphine; iridium; dichloride Formula: C72H64Cl2Fe2Ir2P4+2 MolecularWeight: 1620.203604

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Descriptors Computed from Structure

Canonical SMILES:

CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Fe+2].[Fe+2].[Ir].[Ir]

Isomeric SMILES

CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Fe+2].[Fe+2].[Ir].[Ir]

InChI

InChI=1S/2C31H27P2.2C5H5.2ClH.2Fe.2Ir/c2*1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;2*1-2-4-5-3-1;;;;;;/h2*2-25H,1H3;2*1-5H;2*1H;;;;/q;;;;;;2*+2;;/p-2