carbon monoxide; iron; [(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanethiolate; prop-2-en-1-one

Systemtic Name: carbon monoxide; iron; [(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanethiolate; prop-2-en-1-one Openeye Name: [(2S)-1-tert-butoxycarbonylpyrrolidin-2-yl]methanethiolate; carbon monoxide; iron; prop-2-en-1-one CAS Name: carbon monoxide; iron; [(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]methanethiolate; 2-propen-1-one IUPAC Name: carbon monoxide; iron; [(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanethiolate; prop-2-en-1-one Traditional Name: [(2S)-1-tert-butoxycarbonylpyrrolidin-2-yl]methanethiolate; carbon monoxide; iron; prop-2-en-1-one Formula: C19H21Fe2NO9S-2 MolecularWeight: 551.12634

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C10H19NO2S.C3H3O.6CO.2Fe/c1-10(2,3)13-9(12)11-6-4-5-8(11)7-14;1-2-3-4;6*1-2;;/h8,14H,4-7H2,1-3H3;2H,1H2;;;;;;;;/q;-1;;;;;;;;/p-1/t8-;;;;;;;;;/m0........./s1