(5E)-5-butan-2-ylidenecyclohexa-1,3-diene; carbon monoxide; iron

Systemtic Name: (5E)-5-butan-2-ylidenecyclohexa-1,3-diene; carbon monoxide; iron Openeye Name: carbon monoxide; iron; (5E)-5-(1-methylpropylidene)cyclohexa-1,3-diene CAS Name: (5E)-5-butan-2-ylidenecyclohexa-1,3-diene; carbon monoxide; iron IUPAC Name: (5E)-5-butan-2-ylidenecyclohexa-1,3-diene; carbon monoxide; iron Traditional Name: carbon monoxide; iron; (5E)-5-(1-methylpropylidene)cyclohexa-1,3-diene Formula: C13H14FeO3 MolecularWeight: 274.09346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1CC=CC=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC/C(=C/1\CC=CC=C1)/C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H14.3CO.Fe/c1-3-9(2)10-7-5-4-6-8-10;3*1-2;/h4-7H,3,8H2,1-2H3;;;;/b10-9-;;;;