carbon monoxide; iron(2+); [(2S,6S)-6-oxidanyldodec-7-yn-2-yl]oxymethanone

Systemtic Name: carbon monoxide; iron(2+); [(2S,6S)-6-oxidanyldodec-7-yn-2-yl]oxymethanone Openeye Name: ferrous; carbon monoxide; [(1S,5S)-5-hydroxy-1-methyl-undec-6-ynoxy]methanone CAS Name: carbon monoxide; [(2S,6S)-6-hydroxydodec-7-yn-2-yl]oxymethanone; iron(2+) IUPAC Name: carbon monoxide; [(2S,6S)-6-hydroxydodec-7-yn-2-yl]oxymethanone; iron(2+) Traditional Name: ferrous; carbon monoxide; [(1S,5S)-5-hydroxy-1-methyl-undec-6-ynoxy]methanone Formula: C16H18FeO6+ MolecularWeight: 362.15552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC([CH][CH][CH]C(C)O[C-]=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3.3CO.Fe/c1-3-4-5-6-9-13(15)10-7-8-12(2)16-11-14;3*1-2;/h7-8,10,12-13,15H,3-5H2,1-2H3;;;;/q-1;;;;+2/t12-,13+;;;;/m0..../s1