carbon monoxide; iron; 4-methylbenzene-1,2-dithiolate

Systemtic Name: carbon monoxide; iron; 4-methylbenzene-1,2-dithiolate Openeye Name: carbon monoxide; iron; 4-methylbenzene-1,2-dithiolate CAS Name: carbon monoxide; iron; 4-methylbenzene-1,2-dithiolate IUPAC Name: carbon monoxide; iron; 4-methylbenzene-1,2-dithiolate Traditional Name: carbon monoxide; iron; 4-methylbenzene-1,2-dithiolate Formula: C13H6Fe2O6S2-2 MolecularWeight: 434.00314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[S-])[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CC1=CC(=C(C=C1)[S-])[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/C7H8S2.6CO.2Fe/c1-5-2-3-6(8)7(9)4-5;6*1-2;;/h2-4,8-9H,1H3;;;;;;;;/p-2