carbon monoxide; diphenylphosphane; 3-diphenylphosphanylbuta-1,3-dienylidene(diethyl)azanium; iron

Systemtic Name: carbon monoxide; diphenylphosphane; 3-diphenylphosphanylbuta-1,3-dienylidene(diethyl)azanium; iron Openeye Name: carbon monoxide; diphenylphosphane; 3-diphenylphosphanylbuta-1,3-dienylidene(diethyl)ammonium; iron CAS Name: carbon monoxide; diphenylphosphine; 3-diphenylphosphinobuta-1,3-dienylidene(diethyl)ammonium; iron IUPAC Name: carbon monoxide; diphenylphosphane; 3-diphenylphosphanylbuta-1,3-dienylidene(diethyl)azanium; iron Traditional Name: carbon monoxide; diphenylphosphine; 3-diphenylphosphinobuta-1,3-dienylidene(diethyl)ammonium; iron Formula: C44H32Fe4NO12P2- MolecularWeight: 1052.051902

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C=[C-]C(=[CH-])P(C1=CC=CC=C1)C2=CC=CC=C2)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)PC2=CC=CC=C2.[Fe].[Fe].[Fe].[Fe]

Isomeric SMILES

CC[N+](=C=[C-]C(=[CH-])P(C1=CC=CC=C1)C2=CC=CC=C2)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)PC2=CC=CC=C2.[Fe].[Fe].[Fe].[Fe]

InChI

InChI=1S/C20H21NP.C12H11P.12CO.4Fe/c1-4-21(5-2)17-16-18(3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12*1-2;;;;/h3,6-15H,4-5H2,1-2H3;1-10,13H;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;