copper; cyclopenta-1,3-diene; 3-diphenylphosphaniumylpropyl(diphenyl)phosphanium; iron; tricyclohexylphosphanium; tetracyanide

Systemtic Name: copper; cyclopenta-1,3-diene; 3-diphenylphosphaniumylpropyl(diphenyl)phosphanium; iron; tricyclohexylphosphanium; tetracyanide Openeye Name: copper; cyclopenta-1,3-diene; 3-diphenylphosphaniumylpropyl(diphenyl)phosphonium; iron; tricyclohexylphosphonium; tetracyanide CAS Name: copper; cyclopenta-1,3-diene; 3-diphenylphosphiniumylpropyl(diphenyl)phosphonium; iron; tricyclohexylphosphonium; tetracyanide IUPAC Name: copper; cyclopenta-1,3-diene; 3-diphenylphosphaniumylpropyl(diphenyl)phosphanium; iron; tricyclohexylphosphanium; tetracyanide Traditional Name: copper; cyclopenta-1,3-diene; 3-diphenylphosphiniumylpropyl(diphenyl)phosphonium; iron; tricyclohexylphosphonium; tetracyanide Formula: C95H140Cu2Fe2N4P5- MolecularWeight: 1731.805705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](CCC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Fe].[Fe].[Cu].[Cu]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](CCC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Fe].[Fe].[Cu].[Cu]

InChI

InChI=1S/C27H26P2.3C18H33P.2C5H5.4CN.2Cu.2Fe/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2;;;;/h1-12,14-21H,13,22-23H2;3*16-18H,1-15H2;2*1-5H;;;;;;;;/q;;;;6*-1;;;;/p+5