carbon monoxide; diphenylphosphane; iron; propa-1,2-diene

Systemtic Name: carbon monoxide; diphenylphosphane; iron; propa-1,2-diene Openeye Name: allene; carbon monoxide; diphenylphosphane; iron CAS Name: carbon monoxide; diphenylphosphine; iron; propa-1,2-diene IUPAC Name: carbon monoxide; diphenylphosphane; iron; propa-1,2-diene Traditional Name: allene; carbon monoxide; diphenylphosphine; iron Formula: C21H14Fe2O6P- MolecularWeight: 504.996021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11P.C3H3.6CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;6*1-2;;/h1-10,13H;1H,2H2;;;;;;;;/q;-1;;;;;;;;