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

Systemtic Name: carbon monoxide; iron; (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1,2-dithiolate Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propane-1,2-dithiolate; carbon monoxide; iron CAS Name: carbon monoxide; iron; (2R)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropane-1,2-dithiolate IUPAC Name: carbon monoxide; iron; (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropane-1,2-dithiolate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propane-1,2-dithiolate; carbon monoxide; iron Formula: C15H15Fe2NO10S2-2 MolecularWeight: 545.1003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4S2.6CO.2Fe/c1-8(2,3)14-7(12)10-9(16,5-15)6(11)13-4;6*1-2;;/h15-16H,5H2,1-4H3,(H,10,12);;;;;;;;/p-2/t9-;;;;;;;;/m0......../s1