carbon monoxide; iron; methanidylsulfanylmethane; 2-methyl-2-(sulfanidylmethyl)propane-1,3-dithiolate

Systemtic Name: carbon monoxide; iron; methanidylsulfanylmethane; 2-methyl-2-(sulfanidylmethyl)propane-1,3-dithiolate Openeye Name: carbon monoxide; iron; methanidylsulfanylmethane; 2-methyl-2-(sulfidomethyl)propane-1,3-dithiolate CAS Name: carbon monoxide; iron; (methanidylthio)methane; 2-methyl-2-(sulfidomethyl)propane-1,3-dithiolate IUPAC Name: carbon monoxide; iron; methanidylsulfanylmethane; 2-methyl-2-(sulfidomethyl)propane-1,3-dithiolate Traditional Name: carbon monoxide; iron; (methanidylthio)methane; 2-methyl-2-(sulfidomethyl)propane-1,3-dithiolate Formula: C19H14Fe4O12S4-4 MolecularWeight: 785.94726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[S-])(C[S-])C[S-].CS[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe]

Isomeric SMILES

CC(C[S-])(C[S-])C[S-].CS[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe]

InChI

InChI=1S/C5H12S3.C2H5S.12CO.4Fe/c1-5(2-6,3-7)4-8;1-3-2;12*1-2;;;;/h6-8H,2-4H2,1H3;1H2,2H3;;;;;;;;;;;;;;;;/q;-1;;;;;;;;;;;;;;;;/p-3