carbon monoxide; cyclohepta-1,3,5-triene; iron

Systemtic Name: carbon monoxide; cyclohepta-1,3,5-triene; iron Openeye Name: carbon monoxide; cyclohepta-1,3,5-triene; iron CAS Name: carbon monoxide; cyclohepta-1,3,5-triene; iron IUPAC Name: carbon monoxide; cyclohepta-1,3,5-triene; iron Traditional Name: carbon monoxide; cyclohepta-1,3,5-triene; iron Formula: C23H16Fe3O9 MolecularWeight: 603.90274

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC=C1.C1C=CC=CC=C1.[Fe].[Fe].[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC=C1.C1C=CC=CC=C1.[Fe].[Fe].[Fe]

InChI

InChI=1S/2C7H8.9CO.3Fe/c2*1-2-4-6-7-5-3-1;9*1-2;;;/h2*1-6H,7H2;;;;;;;;;;;;