dodecane-1-sulfonate; iron(3+); oxygen(2-)

Systemtic Name: dodecane-1-sulfonate; iron(3+); oxygen(2-) Openeye Name: diferric; dodecane-1-sulfonate; oxygen(2-) CAS Name: 1-dodecanesulfonate; iron(3+); oxygen(2-) IUPAC Name: dodecane-1-sulfonate; iron(3+); oxygen(2-) Traditional Name: diferric; dodecane-1-sulfonate; oxygen(2-) Formula: C48H100Fe2O13S4 MolecularWeight: 1125.2498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].[O-2].[Fe+3].[Fe+3]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].[O-2].[Fe+3].[Fe+3]

InChI

InChI=1S/4C12H26O3S.2Fe.O/c4*1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h4*2-12H2,1H3,(H,13,14,15);;;/q;;;;2*+3;-2/p-4