carbon monoxide; 1-ethenyl-6-methyl-cyclohexa-1,3-diene; iron

Systemtic Name: carbon monoxide; 1-ethenyl-6-methyl-cyclohexa-1,3-diene; iron Openeye Name: carbon monoxide; iron; 6-methyl-1-vinyl-cyclohexa-1,3-diene CAS Name: carbon monoxide; 1-ethenyl-6-methylcyclohexa-1,3-diene; iron IUPAC Name: carbon monoxide; 1-ethenyl-6-methylcyclohexa-1,3-diene; iron Traditional Name: carbon monoxide; iron; 6-methyl-1-vinyl-cyclohexa-1,3-diene Formula: C12H12FeO3 MolecularWeight: 260.06688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC=C1C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1CC=CC=C1C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H12.3CO.Fe/c1-3-9-7-5-4-6-8(9)2;3*1-2;/h3-5,7-8H,1,6H2,2H3;;;;