ethyne; iron(5+); iron(6+); 5-methylcyclopenta-1,3-diene

Systemtic Name: ethyne; iron(5+); iron(6+); 5-methylcyclopenta-1,3-diene Openeye Name: acetylene; iron(5+); iron(6+); 5-methylcyclopenta-1,3-diene CAS Name: acetylene; iron(5+); iron(6+); 5-methylcyclopenta-1,3-diene IUPAC Name: acetylene; iron(5+); iron(6+); 5-methylcyclopenta-1,3-diene Traditional Name: acetylene; iron(5+); iron(6+); 5-methylcyclopenta-1,3-diene Formula: C28H32Fe4+18 MolecularWeight: 591.93368

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C#C.C#C.[Fe+5].[Fe+5].[Fe+6].[Fe+6]

Isomeric SMILES

C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C#C.C#C.[Fe+5].[Fe+5].[Fe+6].[Fe+6]

InChI

InChI=1S/4C6H7.2C2H2.4Fe/c4*1-6-4-2-3-5-6;2*1-2;;;;/h4*2-5H,1H3;2*1-2H;;;;/q4*-1;;;2*+5;2*+6