carbon monoxide; iron(2+); (9S)-9-(oxidanylidenemethoxy)-1-phenylmethoxy-decan-5-one

Systemtic Name: carbon monoxide; iron(2+); (9S)-9-(oxidanylidenemethoxy)-1-phenylmethoxy-decan-5-one Openeye Name: ferrous; (9S)-1-benzyloxy-9-(oxomethoxy)decan-5-one; carbon monoxide CAS Name: carbon monoxide; iron(2+); (9S)-9-(oxomethoxy)-1-phenylmethoxy-5-decanone IUPAC Name: carbon monoxide; iron(2+); (9S)-9-(oxomethoxy)-1-phenylmethoxydecan-5-one Traditional Name: ferrous; (9S)-1-benzoxy-9-(ketomethoxy)decan-5-one; carbon monoxide Formula: C21H22FeO7+ MolecularWeight: 442.24018

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Descriptors Computed from Structure

Canonical SMILES:

CC([CH][CH][CH]C(=O)CCCCOCC1=CC=CC=C1)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

C[C@@H]([CH][CH][CH]C(=O)CCCCOCC1=CC=CC=C1)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C18H22O4.3CO.Fe/c1-16(22-15-19)8-7-12-18(20)11-5-6-13-21-14-17-9-3-2-4-10-17;3*1-2;/h2-4,7-10,12,16H,5-6,11,13-14H2,1H3;;;;/q-1;;;;+2/t16-;;;;/m0..../s1