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

Systemtic Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphanium; iron; 2-methylsulfonylpropanedinitrile; tricyanide Openeye Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; iron; 2-methylsulfonylpropanedinitrile; tricyanide CAS Name: [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methylpropyl]-diphenylphosphonium; iron; 2-methylsulfonylpropanedinitrile; tricyanide IUPAC Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium; iron; 2-methylsulfonylpropanedinitrile; tricyanide Traditional Name: [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; iron; 2-mesylmalononitrile; tricyanide Formula: C142H142Fe4N11O8P9S4+6 MolecularWeight: 2761.119629

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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.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.CS(=O)(=O)C(C#N)C#N.CS(=O)(=O)C(C#N)C#N.CS(=O)(=O)C(C#N)C#N.CS(=O)(=O)C(C#N)C#N.[C-]#N.[C-]#N.[C-]#N.[Fe].[Fe].[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.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.CS(=O)(=O)C(C#N)C#N.CS(=O)(=O)C(C#N)C#N.CS(=O)(=O)C(C#N)C#N.CS(=O)(=O)C(C#N)C#N.[C-]#N.[C-]#N.[C-]#N.[Fe].[Fe].[Fe].[Fe]

InChI

InChI=1S/3C41H39P3.4C4H4N2O2S.3CN.4Fe/c3*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;4*1-9(7,8)4(2-5)3-6;3*1-2;;;;/h3*2-31H,32-34H2,1H3;4*4H,1H3;;;;;;;/q;;;;;;;3*-1;;;;/p+9