Diisobutyl Methylphosphonate
[CAS# 7242-56-0]

Identification

• Name: Diisobutyl Methylphosphonate
• Synonyms: [3-Diphenylphosphaniumyl-2-(Diphenylphosphaniumylmethyl)-2-Methyl-Propyl]-Diphenyl-Phosphonium; Iron; 2-Methylsulfonylpropanedinitrile; Tricyanide; [3-Diphenylphosphaniumyl-2-(Diphenylphosphaniumylmethyl)-2-Methylpropyl]-Diphenylphosphonium; Iron
• Molecular Formula: C₁₄₂H₁₄₂Fe₄N₁₁O₈P₉S₄
• Molecular Weight: 2761.14
• CAS Registry Number: 7242-56-0
• SMILES: [Fe]|1|4|%25|%26(|[PH+](CC(C[PH+]|1(C2=CC=CC=C2)C3=CC=CC=C3)(C[PH+]|4(C5=CC=CC=C5)C6=CC=CC=C6)C)(C7=CC=CC=C7)C8=CC=CC=C8)|N#CC([S](=O)(=O)C)C#N|[Fe]|9|%12|%27(|[PH+](CC(C[PH+]|9(C%10=CC=CC=C%10)C%11=CC=CC=C%11)(C[PH+]|%12(C%13=CC=CC=C%13)C%14=CC=CC=C%14)C)(C%15=CC=CC=C%15)C%16=CC=CC=C%16)|N#CC([S](=O)(=O)C)C#N|[Fe]|%17|%20(|[PH+](CC(C[PH+]|%17(C%18=CC=CC=C%18)C%19=CC=CC=C%19)(C[PH+]|%20(C%21=CC=CC=C%21)C%22=CC=CC=C%22)C)(C%23=CC=CC=C%23)C%24=CC=CC=C%24)(|N#CC([S](=O)(=O)C)C#N|%25)|[C-]#N|[Fe](|N#[C-]|%26)(|N#[C-]|%27)|N#CC([S](=O)(=O)C)C#N
• 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
• InChIKey: RQHGPKSXRBXJJL-UHFFFAOYSA-W