carbon monoxide; cyclopentane; hex-5-en-2-one; iron(2+); tetrafluoroborate

Systemtic Name: carbon monoxide; cyclopentane; hex-5-en-2-one; iron(2+); tetrafluoroborate Openeye Name: ferrous; carbon monoxide; cyclopentane; hex-5-en-2-one; tetrafluoroborate CAS Name: carbon monoxide; cyclopentane; 5-hexen-2-one; iron(2+); tetrafluoroborate IUPAC Name: carbon monoxide; cyclopentane; hex-5-en-2-one; iron(2+); tetrafluoroborate Traditional Name: ferrous; carbon monoxide; cyclopentane; hex-5-en-2-one; tetrafluoroborate Formula: C13H15BF4FeO3+ MolecularWeight: 361.906013

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)CCC=C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)CCC=C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C6H10O.C5H5.2CO.BF4.Fe/c1-3-4-5-6(2)7;1-2-4-5-3-1;2*1-2;2-1(3,4)5;/h3H,1,4-5H2,2H3;1-5H;;;;/q;;;;-1;+2