carbon monoxide; iron; 4-(4-methoxycyclohexa-2,4-dien-1-yl)butan-2-one

Systemtic Name: carbon monoxide; iron; 4-(4-methoxycyclohexa-2,4-dien-1-yl)butan-2-one Openeye Name: carbon monoxide; iron; 4-(4-methoxycyclohexa-2,4-dien-1-yl)butan-2-one CAS Name: carbon monoxide; iron; 4-(4-methoxy-1-cyclohexa-2,4-dienyl)-2-butanone IUPAC Name: carbon monoxide; iron; 4-(4-methoxycyclohexa-2,4-dien-1-yl)butan-2-one Traditional Name: carbon monoxide; iron; 4-(4-methoxycyclohexa-2,4-dien-1-yl)butan-2-one Formula: C14H16FeO5 MolecularWeight: 320.11884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CC=C(C=C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=O)CCC1CC=C(C=C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C11H16O2.3CO.Fe/c1-9(12)3-4-10-5-7-11(13-2)8-6-10;3*1-2;/h5,7-8,10H,3-4,6H2,1-2H3;;;;