carbon monoxide; cyclopentane; iron; iron(2+); (4-methylphenyl)methyliminomethylidenetungsten

Systemtic Name: carbon monoxide; cyclopentane; iron; iron(2+); (4-methylphenyl)methyliminomethylidenetungsten Openeye Name: ferrous; carbon monoxide; cyclopentane; iron; p-tolylmethyliminomethylenetungsten CAS Name: carbon monoxide; cyclopentane; iron; iron(2+); (4-methylphenyl)methyliminomethylidenetungsten IUPAC Name: carbon monoxide; cyclopentane; iron; iron(2+); (4-methylphenyl)methyliminomethylidenetungsten Traditional Name: ferrous; carbon monoxide; cyclopentane; iron; p-tolylmethyliminomethylenetungsten Formula: C27H28Fe2NO8W+ MolecularWeight: 790.04312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[CH-]N=C=[W].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC1.C1CCCC1.[Fe].[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)[CH-]N=C=[W].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC1.C1CCCC1.[Fe].[Fe+2]

InChI

InChI=1S/C9H8N.2C5H10.8CO.2Fe.W/c1-8-3-5-9(6-4-8)7-10-2;2*1-2-4-5-3-1;8*1-2;;;/h3-7H,1H3;2*1-5H2;;;;;;;;;;;/q-1;;;;;;;;;;;;+2;