carbon monoxide; 1-cyclohexa-1,3-dien-1-yl-1-phenyl-ethanol; iron

Systemtic Name: carbon monoxide; 1-cyclohexa-1,3-dien-1-yl-1-phenyl-ethanol; iron Openeye Name: carbon monoxide; 1-cyclohexa-1,3-dien-1-yl-1-phenyl-ethanol; iron CAS Name: carbon monoxide; 1-(1-cyclohexa-1,3-dienyl)-1-phenylethanol; iron IUPAC Name: carbon monoxide; 1-cyclohexa-1,3-dien-1-yl-1-phenylethanol; iron Traditional Name: carbon monoxide; 1-cyclohexa-1,3-dien-1-yl-1-phenyl-ethanol; iron Formula: C17H16FeO4 MolecularWeight: 340.15154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CCC1)(C2=CC=CC=C2)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(C1=CC=CCC1)(C2=CC=CC=C2)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C14H16O.3CO.Fe/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;3*1-2;/h2-6,8-10,15H,7,11H2,1H3;;;;