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

Systemtic Name: carbon monoxide; iron(2+); (2R,7S)-2-oxidanyl-7-(oxidanylidenemethoxy)-7-phenyl-heptan-3-one Openeye Name: ferrous; carbon monoxide; (2R,7S)-2-hydroxy-7-(oxomethoxy)-7-phenyl-heptan-3-one CAS Name: carbon monoxide; (2R,7S)-2-hydroxy-7-(oxomethoxy)-7-phenyl-3-heptanone; iron(2+) IUPAC Name: carbon monoxide; (2R,7S)-2-hydroxy-7-(oxomethoxy)-7-phenylheptan-3-one; iron(2+) Traditional Name: ferrous; carbon monoxide; (2R,7S)-2-hydroxy-7-(ketomethoxy)-7-phenyl-heptan-3-one Formula: C17H14FeO7+ MolecularWeight: 386.13386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4.3CO.Fe/c1-11(16)13(17)8-5-9-14(18-10-15)12-6-3-2-4-7-12;3*1-2;/h2-9,11,14,16H,1H3;;;;/q-1;;;;+2/t11-,14+;;;;/m1..../s1