carbon monoxide; iron; [(3S,4R)-2-methyl-3-phenyl-1,2-oxazolidin-4-yl]methanone; [(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanethiolate

Systemtic Name: carbon monoxide; iron; [(3S,4R)-2-methyl-3-phenyl-1,2-oxazolidin-4-yl]methanone; [(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanethiolate Openeye Name: [(2S)-1-tert-butoxycarbonylpyrrolidin-2-yl]methanethiolate; carbon monoxide; iron; [(3S,4R)-2-methyl-3-phenyl-isoxazolidin-4-yl]methanone CAS Name: carbon monoxide; iron; [(3S,4R)-2-methyl-3-phenyl-4-isoxazolidinyl]methanone; [(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]methanethiolate IUPAC Name: carbon monoxide; iron; [(3S,4R)-2-methyl-3-phenyl-1,2-oxazolidin-4-yl]methanone; [(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanethiolate Traditional Name: [(2S)-1-tert-butoxycarbonylpyrrolidin-2-yl]methanethiolate; carbon monoxide; iron; [(3S,4R)-2-methyl-3-phenyl-isoxazolidin-4-yl]methanone Formula: C27H30Fe2N2O10S-2 MolecularWeight: 686.2895

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C[S-].CN1C(C(CO1)[C-]=O)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C[S-].CN1[C@@H]([C@H](CO1)[C-]=O)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/C11H12NO2.C10H19NO2S.6CO.2Fe/c1-12-11(10(7-13)8-14-12)9-5-3-2-4-6-9;1-10(2,3)13-9(12)11-6-4-5-8(11)7-14;6*1-2;;/h2-6,10-11H,8H2,1H3;8,14H,4-7H2,1-3H3;;;;;;;;/q-1;;;;;;;;;/p-1/t10-,11+;8-;;;;;;;;/m00......../s1