3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonate; iron(3+)

Systemtic Name: 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonate; iron(3+) Openeye Name: ferric 3,6-dioxocyclohexa-1,4-diene-1-sulfonate CAS Name: 3,6-dioxo-1-cyclohexa-1,4-dienesulfonate; iron(3+) IUPAC Name: 3,6-dioxocyclohexa-1,4-diene-1-sulfonate; iron(3+) Traditional Name: ferric 3,6-diketocyclohexa-1,4-diene-1-sulfonate Formula: C18H9FeO15S3 MolecularWeight: 617.29506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/3C6H4O5S.Fe/c3*7-4-1-2-5(8)6(3-4)12(9,10)11;/h3*1-3H,(H,9,10,11);/q;;;+3/p-3