carbon monoxide; iron(2+); [(2S,6R)-2-oxidanylundecan-6-yl]oxymethanone

Systemtic Name: carbon monoxide; iron(2+); [(2S,6R)-2-oxidanylundecan-6-yl]oxymethanone Openeye Name: ferrous; carbon monoxide; [(1R,5S)-5-hydroxy-1-pentyl-hexoxy]methanone CAS Name: carbon monoxide; [(2S,6R)-2-hydroxyundecan-6-yl]oxymethanone; iron(2+) IUPAC Name: carbon monoxide; [(2S,6R)-2-hydroxyundecan-6-yl]oxymethanone; iron(2+) Traditional Name: ferrous; [(1R,5S)-1-amyl-5-hydroxy-hexoxy]methanone; carbon monoxide Formula: C15H23FeO6+ MolecularWeight: 355.18452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(C)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

CCCCC[C@H](CCC[C@H](C)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C12H23O3.3CO.Fe/c1-3-4-5-8-12(15-10-13)9-6-7-11(2)14;3*1-2;/h11-12,14H,3-9H2,1-2H3;;;;/q-1;;;;+2/t11-,12+;;;;/m0..../s1