iron(3+); methanone; 8-oxidanylidenedecane-1,3-dithiolate

Systemtic Name: iron(3+); methanone; 8-oxidanylidenedecane-1,3-dithiolate Openeye Name: diferric; methanone; 8-oxodecane-1,3-dithiolate CAS Name: iron(3+); methanone; 8-oxodecane-1,3-dithiolate IUPAC Name: iron(3+); methanone; 8-oxodecane-1,3-dithiolate Traditional Name: diferric; 8-ketodecane-1,3-dithiolate; methanone Formula: C16H24Fe2O7S2-2 MolecularWeight: 504.17756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCCC(CC[S-])[S-].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Fe+3].[Fe+3]

Isomeric SMILES

CCC(=O)CCCCC(CC[S-])[S-].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Fe+3].[Fe+3]

InChI

InChI=1S/C10H20OS2.6CHO.2Fe/c1-2-9(11)5-3-4-6-10(13)7-8-12;6*1-2;;/h10,12-13H,2-8H2,1H3;6*1H;;/q;6*-1;2*+3/p-2