1-butoxycyclohexa-1,3-diene; carbon monoxide; iron

Systemtic Name: 1-butoxycyclohexa-1,3-diene; carbon monoxide; iron Openeye Name: 1-butoxycyclohexa-1,3-diene; carbon monoxide; iron CAS Name: 1-butoxycyclohexa-1,3-diene; carbon monoxide; iron IUPAC Name: 1-butoxycyclohexa-1,3-diene; carbon monoxide; iron Traditional Name: 1-butoxycyclohexa-1,3-diene; carbon monoxide; iron Formula: C13H16FeO4 MolecularWeight: 292.10874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCOC1=CC=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H16O.3CO.Fe/c1-2-3-9-11-10-7-5-4-6-8-10;3*1-2;/h4-5,7H,2-3,6,8-9H2,1H3;;;;