carbon monoxide; iron; 2-methylpropane-2-thiolate; propa-1,2-diene

Systemtic Name: carbon monoxide; iron; 2-methylpropane-2-thiolate; propa-1,2-diene Openeye Name: allene; carbon monoxide; iron; 2-methylpropane-2-thiolate CAS Name: carbon monoxide; iron; 2-methyl-2-propanethiolate; propa-1,2-diene IUPAC Name: carbon monoxide; iron; 2-methylpropane-2-thiolate; propa-1,2-diene Traditional Name: allene; carbon monoxide; iron; 2-methylpropane-2-thiolate Formula: C13H12Fe2O6S-2 MolecularWeight: 407.98578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[S-].C=C=[CH-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CC(C)(C)[S-].C=C=[CH-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/C4H10S.C3H3.6CO.2Fe/c1-4(2,3)5;1-3-2;6*1-2;;/h5H,1-3H3;1H,2H2;;;;;;;;/q;-1;;;;;;;;/p-1