[3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphanium; ethane-1,1,2,2-tetracarbonitrile; iron

Systemtic Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphanium; ethane-1,1,2,2-tetracarbonitrile; iron Openeye Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; ethane-1,1,2,2-tetracarbonitrile; iron CAS Name: [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methylpropyl]-diphenylphosphonium; ethane-1,1,2,2-tetracarbonitrile; iron IUPAC Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium; ethane-1,1,2,2-tetracarbonitrile; iron Traditional Name: [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; ethane-1,1,2,2-tetracarbonitrile; iron Formula: C100H90Fe2N12P6+6 MolecularWeight: 1757.397566

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Descriptors Computed from Structure

Canonical SMILES:

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.C(#N)C(C#N)C(C#N)C#N.C(#N)C(C#N)C(C#N)C#N.C(#N)C(C#N)C(C#N)C#N.[Fe].[Fe]

Isomeric SMILES

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.C(#N)C(C#N)C(C#N)C#N.C(#N)C(C#N)C(C#N)C#N.C(#N)C(C#N)C(C#N)C#N.[Fe].[Fe]

InChI

InChI=1S/2C41H39P3.3C6H2N4.2Fe/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*7-1-5(2-8)6(3-9)4-10;;/h2*2-31H,32-34H2,1H3;3*5-6H;;/p+6