carbon monoxide; iron(2+); (1R,7S)-1-oxidanyl-7-(oxidanylidenemethoxy)-1-phenyl-dodecan-3-one

Systemtic Name: carbon monoxide; iron(2+); (1R,7S)-1-oxidanyl-7-(oxidanylidenemethoxy)-1-phenyl-dodecan-3-one Openeye Name: ferrous; carbon monoxide; (1R,7S)-1-hydroxy-7-(oxomethoxy)-1-phenyl-dodecan-3-one CAS Name: carbon monoxide; (1R,7S)-1-hydroxy-7-(oxomethoxy)-1-phenyl-3-dodecanone; iron(2+) IUPAC Name: carbon monoxide; (1R,7S)-1-hydroxy-7-(oxomethoxy)-1-phenyldodecan-3-one; iron(2+) Traditional Name: ferrous; carbon monoxide; (1R,7S)-1-hydroxy-7-(ketomethoxy)-1-phenyl-dodecan-3-one Formula: C22H24FeO7+ MolecularWeight: 456.26676

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H24O4.3CO.Fe/c1-2-3-5-12-18(23-15-20)13-8-11-17(21)14-19(22)16-9-6-4-7-10-16;3*1-2;/h4,6-11,13,18-19,22H,2-3,5,12,14H2,1H3;;;;/q-1;;;;+2/t18-,19-;;;;/m1..../s1