carbon monoxide; iron; (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1-thiolate

Systemtic Name: carbon monoxide; iron; (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1-thiolate Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propane-1-thiolate; carbon monoxide; iron CAS Name: carbon monoxide; iron; (2R)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-propanethiolate IUPAC Name: carbon monoxide; iron; (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropane-1-thiolate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propane-1-thiolate; carbon monoxide; iron Formula: C24H32Fe2N2O14S2-2 MolecularWeight: 748.33588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C[S-])C(=O)OC.CC(C)(C)OC(=O)N[C@@H](C[S-])C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/2C9H17NO4S.6CO.2Fe/c2*1-9(2,3)14-8(12)10-6(5-15)7(11)13-4;6*1-2;;/h2*6,15H,5H2,1-4H3,(H,10,12);;;;;;;;/p-2/t2*6-;;;;;;;;/m00......../s1