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

Systemtic Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphanium; iron; 2-methylsulfonylpropanedinitrile Openeye Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; iron; 2-methylsulfonylpropanedinitrile CAS Name: [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methylpropyl]-diphenylphosphonium; iron; 2-methylsulfonylpropanedinitrile IUPAC Name: [3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium; iron; 2-methylsulfonylpropanedinitrile Traditional Name: [3-diphenylphosphiniumyl-2-(diphenylphosphiniumylmethyl)-2-methyl-propyl]-diphenyl-phosphonium; iron; 2-mesylmalononitrile Formula: C94H96Fe2N6O6P6S3+6 MolecularWeight: 1799.532206

Click to see the large picture

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

InChI

InChI=1S/2C41H39P3.3C4H4N2O2S.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*1-9(7,8)4(2-5)3-6;;/h2*2-31H,32-34H2,1H3;3*4H,1H3;;/p+6