carbon monoxide; iron(2+); [(1R,5R)-1-oxidanyl-1-phenyl-decan-5-yl]oxymethanone

Systemtic Name: carbon monoxide; iron(2+); [(1R,5R)-1-oxidanyl-1-phenyl-decan-5-yl]oxymethanone Openeye Name: ferrous; carbon monoxide; [(1R)-1-[(4R)-4-hydroxy-4-phenyl-butyl]hexoxy]methanone CAS Name: carbon monoxide; [(1R,5R)-1-hydroxy-1-phenyldecan-5-yl]oxymethanone; iron(2+) IUPAC Name: carbon monoxide; [(1R,5R)-1-hydroxy-1-phenyldecan-5-yl]oxymethanone; iron(2+) Traditional Name: ferrous; carbon monoxide; [(1R)-1-[(4R)-4-hydroxy-4-phenyl-butyl]hexoxy]methanone Formula: C20H22FeO6+ MolecularWeight: 414.23008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC([CH][CH][CH]C(C1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

CCCCC[C@@H]([CH][CH][CH][C@H](C1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C17H22O3.3CO.Fe/c1-2-3-5-11-16(20-14-18)12-8-13-17(19)15-9-6-4-7-10-15;3*1-2;/h4,6-10,12-13,16-17,19H,2-3,5,11H2,1H3;;;;/q-1;;;;+2/t16-,17+;;;;/m0..../s1