benzene-1,2-disulfonate; iron(3+)

Systemtic Name: benzene-1,2-disulfonate; iron(3+) Openeye Name: diferric benzene-1,2-disulfonate CAS Name: benzene-1,2-disulfonate; iron(3+) IUPAC Name: benzene-1,2-disulfonate; iron(3+) Traditional Name: diferric benzene-1,2-disulfonate Formula: C18H12Fe2O18S6 MolecularWeight: 820.35708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H6O6S2.2Fe/c3*7-13(8,9)5-3-1-2-4-6(5)14(10,11)12;;/h3*1-4H,(H,7,8,9)(H,10,11,12);;/q;;;2*+3/p-6