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

Systemtic Name: [(3S,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidin-4-yl]methanone; carbon monoxide; iron; propane-1-thiolate Openeye Name: [(3S,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-isoxazolidin-4-yl]methanone; carbon monoxide; iron; propane-1-thiolate CAS Name: [(3S,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-4-isoxazolidinyl]methanone; carbon monoxide; iron; 1-propanethiolate IUPAC Name: [(3S,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidin-4-yl]methanone; carbon monoxide; iron; propane-1-thiolate Traditional Name: [(3S,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-isoxazolidin-4-yl]methanone; carbon monoxide; iron; propane-1-thiolate Formula: C24H27Fe2NO8S-2 MolecularWeight: 601.22808

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H20NO2.C3H8S.6CO.2Fe/c1-11-13(10-17)14(12-8-6-5-7-9-12)16(18-11)15(2,3)4;1-2-3-4;6*1-2;;/h5-9,11,13-14H,1-4H3;4H,2-3H2,1H3;;;;;;;;/q-1;;;;;;;;;/p-1/t11-,13-,14+;;;;;;;;;/m0........./s1