carbon monoxide; iron; [(2S,6R)-6,9,9-trimethyl-6-oxidanyl-dec-7-yn-2-yl]oxymethanone

Systemtic Name: carbon monoxide; iron; [(2S,6R)-6,9,9-trimethyl-6-oxidanyl-dec-7-yn-2-yl]oxymethanone Openeye Name: carbon monoxide; [(1S,5R)-5-hydroxy-1,5,8,8-tetramethyl-non-6-ynoxy]methanone; iron CAS Name: carbon monoxide; [(2S,6R)-6-hydroxy-6,9,9-trimethyldec-7-yn-2-yl]oxymethanone; iron IUPAC Name: carbon monoxide; [(2S,6R)-6-hydroxy-6,9,9-trimethyldec-7-yn-2-yl]oxymethanone; iron Traditional Name: carbon monoxide; [(1S,5R)-5-hydroxy-1,5,8,8-tetramethyl-non-6-ynoxy]methanone; iron Formula: C17H23FeO6- MolecularWeight: 379.20592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23O3.3CO.Fe/c1-12(17-11-15)7-6-8-14(5,16)10-9-13(2,3)4;3*1-2;/h12,16H,6-8H2,1-5H3;;;;/q-1;;;;/t12-,14+;;;;/m0..../s1