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

Systemtic Name: carbon monoxide; [(2S,6S)-9,9-dimethyl-6-oxidanyl-6-phenyl-dec-7-yn-2-yl]oxymethanone; iron Openeye Name: carbon monoxide; [(1S,5S)-5-hydroxy-1,8,8-trimethyl-5-phenyl-non-6-ynoxy]methanone; iron CAS Name: carbon monoxide; [(2S,6S)-6-hydroxy-9,9-dimethyl-6-phenyldec-7-yn-2-yl]oxymethanone; iron IUPAC Name: carbon monoxide; [(2S,6S)-6-hydroxy-9,9-dimethyl-6-phenyldec-7-yn-2-yl]oxymethanone; iron Traditional Name: carbon monoxide; [(1S,5S)-5-hydroxy-1,8,8-trimethyl-5-phenyl-non-6-ynoxy]methanone; iron Formula: C22H22FeO6- MolecularWeight: 438.25148

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Descriptors Computed from Structure

Canonical SMILES:

CC([CH][CH][CH]C(C#CC(C)(C)C)(C1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C[C@@H]([CH][CH][CH][C@@](C#CC(C)(C)C)(C1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C19H22O3.3CO.Fe/c1-16(22-15-20)9-8-12-19(21,14-13-18(2,3)4)17-10-6-5-7-11-17;3*1-2;/h5-12,16,21H,1-4H3;;;;/q-1;;;;/t16-,19+;;;;/m0..../s1