2,5-bis(oxidanyl)benzene-1,4-disulfonate; iron(3+)

Systemtic Name: 2,5-bis(oxidanyl)benzene-1,4-disulfonate; iron(3+) Openeye Name: diferric 2,5-dihydroxybenzene-1,4-disulfonate CAS Name: 2,5-dihydroxybenzene-1,4-disulfonate; iron(3+) IUPAC Name: 2,5-dihydroxybenzene-1,4-disulfonate; iron(3+) Traditional Name: diferric 2,5-dihydroxybenzene-1,4-disulfonate Formula: C18H12Fe2O24S6 MolecularWeight: 916.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O.C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O.C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O.[Fe+3].[Fe+3]

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O.C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O.C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O.[Fe+3].[Fe+3]

InChI

InChI=1S/3C6H6O8S2.2Fe/c3*7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14;;/h3*1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;;;2*+3/p-6