iron(3+); methanethiolate; propane-1,2,3-trione

Systemtic Name: iron(3+); methanethiolate; propane-1,2,3-trione Openeye Name: diferric; methanethiolate; propane-1,2,3-trione CAS Name: iron(3+); methanethiolate; propane-1,2,3-trione IUPAC Name: iron(3+); methanethiolate; propane-1,2,3-trione Traditional Name: diferric; methanethiolate; propane-1,2,3-trione Formula: C8H6Fe2O6S2 MolecularWeight: 373.94964

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Descriptors Computed from Structure

Canonical SMILES:

C[S-].C[S-].[C-](=O)C(=O)[C-]=O.[C-](=O)C(=O)[C-]=O.[Fe+3].[Fe+3]

Isomeric SMILES

C[S-].C[S-].[C-](=O)C(=O)[C-]=O.[C-](=O)C(=O)[C-]=O.[Fe+3].[Fe+3]

InChI

InChI=1S/2C3O3.2CH4S.2Fe/c2*4-1-3(6)2-5;2*1-2;;/h;;2*2H,1H3;;/q2*-2;;;2*+3/p-2