[2-[(1R)-1-[3-[(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]ethyl]imidazol-1-yl]ethyl]cyclopentyl]-bis(3,5-dimethylphenyl)phosphane; cyclopentane; ethanenitrile; iron(2+); palladium(2+); dihexafluorophosphate

Systemtic Name: [2-[(1R)-1-[3-[(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]ethyl]imidazol-1-yl]ethyl]cyclopentyl]-bis(3,5-dimethylphenyl)phosphane; cyclopentane; ethanenitrile; iron(2+); palladium(2+); dihexafluorophosphate Openeye Name: diferrous; acetonitrile; [2-[(1R)-1-[3-[(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]ethyl]imidazol-1-yl]ethyl]cyclopentyl]-bis(3,5-dimethylphenyl)phosphane; cyclopentane; palladium(2+); dihexafluorophosphate CAS Name: acetonitrile; [2-[(1R)-1-[3-[(1R)-1-[2-bis(3,5-dimethylphenyl)phosphinocyclopentyl]ethyl]-1-imidazolyl]ethyl]cyclopentyl]-bis(3,5-dimethylphenyl)phosphine; cyclopentane; iron(2+); palladium(2+); dihexafluorophosphate IUPAC Name: acetonitrile; [2-[(1R)-1-[3-[(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]ethyl]imidazol-1-yl]ethyl]cyclopentyl]-bis(3,5-dimethylphenyl)phosphane; cyclopentane; iron(2+); palladium(2+); dihexafluorophosphate Traditional Name: diferrous; acetonitrile; [2-[(1R)-1-[3-[(1R)-1-[2-bis(3,5-dimethylphenyl)phosphinocyclopentyl]ethyl]imidazol-1-yl]ethyl]cyclopentyl]-bis(3,5-dimethylphenyl)phosphine; cyclopentane; palladium(2+); dihexafluorophosphate Formula: C61H65F12Fe2N3P4Pd+4 MolecularWeight: 1410.174782

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=CC(=CC(=C1)P([C]2[CH][CH][CH][C]2C(C)N3C=CN([C]3)C(C)[C]4[CH][CH][CH][C]4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].[Fe+2].[Pd+2]

Isomeric SMILES

CC#N.CC1=CC(=CC(=C1)P([C]2[CH][CH][CH][C]2[C@@H](C)N3C=CN([C]3)[C@H](C)[C]4[CH][CH][CH][C]4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].[Fe+2].[Pd+2]

InChI

InChI=1S/C49H52N2P2.2C5H5.C2H3N.2F6P.2Fe.Pd/c1-32-19-33(2)24-42(23-32)52(43-25-34(3)20-35(4)26-43)48-15-11-13-46(48)40(9)50-17-18-51(31-50)41(10)47-14-12-16-49(47)53(44-27-36(5)21-37(6)28-44)45-29-38(7)22-39(8)30-45;2*1-2-4-5-3-1;1-2-3;2*1-7(2,3,4,5)6;;;/h11-30,40-41H,1-10H3;2*1-5H;1H3;;;;;/q;;;;2*-1;3*+2/t40-,41-;;;;;;;;/m1......../s1