carbon monoxide; iron(2+); (E,7R,13S)-7-oxidanyl-13-(oxidanylidenemethoxy)octadec-5-en-9-one

Systemtic Name: carbon monoxide; iron(2+); (E,7R,13S)-7-oxidanyl-13-(oxidanylidenemethoxy)octadec-5-en-9-one Openeye Name: ferrous; carbon monoxide; (E,7R,13S)-7-hydroxy-13-(oxomethoxy)octadec-5-en-9-one CAS Name: carbon monoxide; (E,7R,13S)-7-hydroxy-13-(oxomethoxy)-5-octadecen-9-one; iron(2+) IUPAC Name: carbon monoxide; (E,7R,13S)-7-hydroxy-13-(oxomethoxy)octadec-5-en-9-one; iron(2+) Traditional Name: ferrous; carbon monoxide; (E,7R,13S)-7-hydroxy-13-(ketomethoxy)octadec-5-en-9-one Formula: C22H30FeO7+ MolecularWeight: 462.3144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O4.3CO.Fe/c1-3-5-7-9-11-17(21)15-18(22)12-10-14-19(23-16-20)13-8-6-4-2;3*1-2;/h9-12,14,17,19,21H,3-8,13,15H2,1-2H3;;;;/q-1;;;;+2/b11-9+;;;;/t17-,19+;;;;/m0..../s1