carbon monoxide; iron(2+); [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] pentanoate; oxoazanide

Systemtic Name: carbon monoxide; iron(2+); [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] pentanoate; oxoazanide Openeye Name: ferrous; carbon monoxide; [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] pentanoate; nitroxyl anion CAS Name: carbon monoxide; iron(2+); nitroxyl anion; pentanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: carbon monoxide; iron(2+); [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pentanoate; nitroxyl anion Traditional Name: ferrous; carbon monoxide; nitroxyl anion; valeric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H28FeNO5+ MolecularWeight: 382.25292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1CC(CCC1C(C)C)C.[C-]#[O+].[C-]#[O+].[N-]=O.[Fe+2]

Isomeric SMILES

CCCCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C.[C-]#[O+].[C-]#[O+].[N-]=O.[Fe+2]

InChI

InChI=1S/C15H28O2.2CO.Fe.NO/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3;2*1-2;;1-2/h11-14H,5-10H2,1-4H3;;;;/q;;;+2;-1/t12-,13+,14-;;;;/m1..../s1