bis(3,5-dimethylphenyl)-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; cyclopentane; iridium; iron(2+); dichloride

Systemtic Name: bis(3,5-dimethylphenyl)-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; cyclopentane; iridium; iron(2+); dichloride Openeye Name: diferrous; bis(3,5-dimethylphenyl)-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; cyclopentane; iridium; dichloride CAS Name: bis(3,5-dimethylphenyl)-[1-(2-diphenylphosphinocyclopentyl)ethyl]phosphine; cyclopentane; iridium; iron(2+); dichloride IUPAC Name: bis(3,5-dimethylphenyl)-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; cyclopentane; iridium; iron(2+); dichloride Traditional Name: diferrous; bis(3,5-dimethylphenyl)-[1-(2-diphenylphosphinocyclopentyl)ethyl]phosphine; cyclopentane; iridium; dichloride Formula: C80H80Cl2Fe2Ir2P4+2 MolecularWeight: 1732.416244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C.CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Fe+2].[Fe+2].[Ir].[Ir]

Isomeric SMILES

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C.CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C.[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/2C35H35P2.2C5H5.2ClH.2Fe.2Ir/c2*1-25-19-26(2)22-32(21-25)36(33-23-27(3)20-28(4)24-33)29(5)34-17-12-18-35(34)37(30-13-8-6-9-14-30)31-15-10-7-11-16-31;2*1-2-4-5-3-1;;;;;;/h2*6-24,29H,1-5H3;2*1-5H;2*1H;;;;/q;;;;;;2*+2;;/p-2