[3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphanium; 2-ethanoylpropanedinitrile; iron

Systemtic Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphanium; 2-ethanoylpropanedinitrile; iron Openeye Name: 2-acetylpropanedinitrile; [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; iron CAS Name: 2-acetylpropanedinitrile; [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methylpropyl]-diphenylphosphonium; iron IUPAC Name: 2-acetylpropanedinitrile; [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium; iron Traditional Name: 2-acetylmalononitrile; [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; iron Formula: C97H96Fe2N6O3P6+6 MolecularWeight: 1691.371106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C#N.CC(=O)C(C#N)C#N.CC(=O)C(C#N)C#N.CC(C[PH+](C1=CC=CC=C1)C2=CC=CC=C2)(C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C[PH+](C5=CC=CC=C5)C6=CC=CC=C6.CC(C[PH+](C1=CC=CC=C1)C2=CC=CC=C2)(C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C[PH+](C5=CC=CC=C5)C6=CC=CC=C6.[Fe].[Fe]

Isomeric SMILES

CC(=O)C(C#N)C#N.CC(=O)C(C#N)C#N.CC(=O)C(C#N)C#N.CC(C[PH+](C1=CC=CC=C1)C2=CC=CC=C2)(C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C[PH+](C5=CC=CC=C5)C6=CC=CC=C6.CC(C[PH+](C1=CC=CC=C1)C2=CC=CC=C2)(C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C[PH+](C5=CC=CC=C5)C6=CC=CC=C6.[Fe].[Fe]

InChI

InChI=1S/2C41H39P3.3C5H4N2O.2Fe/c2*1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;3*1-4(8)5(2-6)3-7;;/h2*2-31H,32-34H2,1H3;3*5H,1H3;;/p+6