cyclopentane; iron; tris(2-diphenylphosphanylethyl)phosphanium; hexafluorophosphate

Systemtic Name: cyclopentane; iron; tris(2-diphenylphosphanylethyl)phosphanium; hexafluorophosphate Openeye Name: cyclopentane; iron; tris(2-diphenylphosphanylethyl)phosphonium; hexafluorophosphate CAS Name: cyclopentane; iron; tris(2-diphenylphosphinoethyl)phosphonium; hexafluorophosphate IUPAC Name: cyclopentane; iron; tris(2-diphenylphosphanylethyl)phosphanium; hexafluorophosphate Traditional Name: cyclopentane; iron; tris(2-diphenylphosphinoethyl)phosphonium; hexafluorophosphate Formula: C47H48F6FeP5 MolecularWeight: 937.588244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CC[PH+](CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

C1=CC=C(C=C1)P(CC[PH+](CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C42H42P4.C5H5.F6P.Fe/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-30H,31-36H2;1-5H;;/q;;-1;/p+1