buta-1,3-diyne; carbon monoxide; diphenylphosphane; iron

Systemtic Name: buta-1,3-diyne; carbon monoxide; diphenylphosphane; iron Openeye Name: buta-1,3-diyne; carbon monoxide; diphenylphosphane; iron CAS Name: buta-1,3-diyne; carbon monoxide; diphenylphosphine; iron IUPAC Name: buta-1,3-diyne; carbon monoxide; diphenylphosphane; iron Traditional Name: buta-1,3-diyne; carbon monoxide; diphenylphosphine; iron Formula: C40H22Fe4O12P2-2 MolecularWeight: 979.923002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H11P.C4.12CO.4Fe/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;12*1-2;;;;/h2*1-10,13H;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;