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

Systemtic Name: carbon monoxide; diphenylphosphane; iron; propa-1,2-dienylbenzene Openeye Name: carbon monoxide; diphenylphosphane; iron; propa-1,2-dienylbenzene CAS Name: carbon monoxide; diphenylphosphine; iron; propa-1,2-dienylbenzene IUPAC Name: carbon monoxide; diphenylphosphane; iron; propa-1,2-dienylbenzene Traditional Name: carbon monoxide; diphenylphosphine; iron; propa-1,2-dienylbenzene Formula: C27H18Fe2O6P- MolecularWeight: 581.091981

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Descriptors Computed from Structure

Canonical SMILES:

C=C=[C-]C1=CC=CC=C1.[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=[C-]C1=CC=CC=C1.[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.C9H7.6CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-9-7-4-3-5-8-9;6*1-2;;/h1-10,13H;3-5,7-8H,1H2;;;;;;;;/q;-1;;;;;;;;