cyclopentane; dicyclohexyl-(2-cyclopentylphenyl)phosphane; ethanoic acid; iron(2+); palladium

Systemtic Name: cyclopentane; dicyclohexyl-(2-cyclopentylphenyl)phosphane; ethanoic acid; iron(2+); palladium Openeye Name: diferrous; acetic acid; cyclopentane; dicyclohexyl-(2-cyclopentylphenyl)phosphane; palladium CAS Name: acetic acid; cyclopentane; dicyclohexyl-(2-cyclopentylphenyl)phosphine; iron(2+); palladium IUPAC Name: acetic acid; cyclopentane; dicyclohexyl-(2-cyclopentylphenyl)phosphane; iron(2+); palladium Traditional Name: diferrous; acetic acid; cyclopentane; dicyclohexyl-(2-cyclopentylphenyl)phosphine; palladium Formula: C60H76Fe2O4P2Pd2+2 MolecularWeight: 1247.720562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3[C]4[CH][CH][CH][C-]4.C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3[C]4[CH][CH][CH][C-]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Pd].[Pd]

Isomeric SMILES

CC(=O)O.CC(=O)O.C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3[C]4[CH][CH][CH][C-]4.C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3[C]4[CH][CH][CH][C-]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Pd].[Pd]

InChI

InChI=1S/2C23H29P.2C5H5.2C2H4O2.2Fe.2Pd/c2*1-3-13-20(14-4-1)24(21-15-5-2-6-16-21)23-18-10-9-17-22(23)19-11-7-8-12-19;2*1-2-4-5-3-1;2*1-2(3)4;;;;/h2*7-11,17-18,20-21H,1-6,13-16H2;2*1-5H;2*1H3,(H,3,4);;;;/q2*-1;;;;;2*+2;;