4-chloranylbenzenesulfonate; iron(2+)

Systemtic Name: 4-chloranylbenzenesulfonate; iron(2+) Openeye Name: ferrous 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonate; iron(2+) IUPAC Name: 4-chlorobenzenesulfonate; iron(2+) Traditional Name: ferrous 4-chlorobesylate Formula: C18H12Cl3FeO9S3- MolecularWeight: 630.68148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)[O-])Cl.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Fe+2]

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)[O-])Cl.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Fe+2]

InChI

InChI=1S/3C6H5ClO3S.Fe/c3*7-5-1-3-6(4-2-5)11(8,9)10;/h3*1-4H,(H,8,9,10);/q;;;+2/p-3