carbon monoxide; iron; [(3R,4R,5S)-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidin-4-yl]methanone; propane-1-thiolate

Systemtic Name: carbon monoxide; iron; [(3R,4R,5S)-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidin-4-yl]methanone; propane-1-thiolate Openeye Name: carbon monoxide; iron; [(3R,4R,5S)-3-isopropyl-5-methyl-2-phenyl-isoxazolidin-4-yl]methanone; propane-1-thiolate CAS Name: carbon monoxide; iron; [(3R,4R,5S)-5-methyl-2-phenyl-3-propan-2-yl-4-isoxazolidinyl]methanone; 1-propanethiolate IUPAC Name: carbon monoxide; iron; [(3R,4R,5S)-5-methyl-2-phenyl-3-propan-2-yl-1,2-oxazolidin-4-yl]methanone; propane-1-thiolate Traditional Name: carbon monoxide; iron; [(3R,4R,5S)-3-isopropyl-5-methyl-2-phenyl-isoxazolidin-4-yl]methanone; propane-1-thiolate Formula: C23H25Fe2NO8S-2 MolecularWeight: 587.2015

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Descriptors Computed from Structure

Canonical SMILES:

CCC[S-].CC1C(C(N(O1)C2=CC=CC=C2)C(C)C)[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CCC[S-].C[C@H]1[C@@H]([C@H](N(O1)C2=CC=CC=C2)C(C)C)[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/C14H18NO2.C3H8S.6CO.2Fe/c1-10(2)14-13(9-16)11(3)17-15(14)12-7-5-4-6-8-12;1-2-3-4;6*1-2;;/h4-8,10-11,13-14H,1-3H3;4H,2-3H2,1H3;;;;;;;;/q-1;;;;;;;;;/p-1/t11-,13-,14+;;;;;;;;;/m0........./s1