carbon monoxide; diethyl-[3-(oxidanylidenemethyl)buta-1,3-dienylidene]azanium; diphenylphosphane; iron

Systemtic Name: carbon monoxide; diethyl-[3-(oxidanylidenemethyl)buta-1,3-dienylidene]azanium; diphenylphosphane; iron Openeye Name: carbon monoxide; diethyl-[3-(oxomethyl)buta-1,3-dienylidene]ammonium; diphenylphosphane; iron CAS Name: carbon monoxide; diethyl-[3-(oxomethyl)buta-1,3-dienylidene]ammonium; diphenylphosphine; iron IUPAC Name: carbon monoxide; diethyl-[3-(oxomethyl)buta-1,3-dienylidene]azanium; diphenylphosphane; iron Traditional Name: carbon monoxide; diethyl-[3-(ketomethyl)buta-1,3-dienylidene]ammonium; diphenylphosphine; iron Formula: C44H34Fe4NO12P2- MolecularWeight: 1054.067782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H11P.C9H12NO.11CO.4Fe/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4-10(5-2)7-6-9(3)8-11;11*1-2;;;;/h2*1-10,13H;3,6H,4-5H2,1-2H3;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;