(E)-but-2-en-1-one; carbon monoxide; iron; propane-1-thiolate

Systemtic Name: (E)-but-2-en-1-one; carbon monoxide; iron; propane-1-thiolate Openeye Name: (E)-but-2-en-1-one; carbon monoxide; iron; propane-1-thiolate CAS Name: (E)-2-buten-1-one; carbon monoxide; iron; 1-propanethiolate IUPAC Name: (E)-but-2-en-1-one; carbon monoxide; iron; propane-1-thiolate Traditional Name: (E)-but-2-en-1-one; carbon monoxide; iron; propane-1-thiolate Formula: C13H12Fe2O7S-2 MolecularWeight: 423.98518

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Descriptors Computed from Structure

Canonical SMILES:

CCC[S-].CC=C[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CCC[S-].C/C=C/[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/C4H5O.C3H8S.6CO.2Fe/c1-2-3-4-5;1-2-3-4;6*1-2;;/h2-3H,1H3;4H,2-3H2,1H3;;;;;;;;/q-1;;;;;;;;;/p-1/b3-2+;;;;;;;;;