butylcyclohexane; carbon monoxide; iron(2+); phenylmethanone

Systemtic Name: butylcyclohexane; carbon monoxide; iron(2+); phenylmethanone Openeye Name: ferrous; butylcyclohexane; carbon monoxide; phenylmethanone CAS Name: butylcyclohexane; carbon monoxide; iron(2+); phenylmethanone IUPAC Name: butylcyclohexane; carbon monoxide; iron(2+); phenylmethanone Traditional Name: ferrous; butylcyclohexane; carbon monoxide; phenylmethanone Formula: C19H20FeO3+ MolecularWeight: 352.2053

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[C]1C[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C-]=O.[Fe+2]

Isomeric SMILES

CCCC[C]1C[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C-]=O.[Fe+2]

InChI

InChI=1S/C10H15.C7H5O.2CO.Fe/c1-2-3-7-10-8-5-4-6-9-10;8-6-7-4-2-1-3-5-7;2*1-2;/h4-6,8H,2-3,7,9H2,1H3;1-5H;;;/q;-1;;;+2