2-hexylbenzenesulfonate; iron(2+)

Systemtic Name: 2-hexylbenzenesulfonate; iron(2+) Openeye Name: ferrous 2-hexylbenzenesulfonate CAS Name: 2-hexylbenzenesulfonate; iron(2+) IUPAC Name: 2-hexylbenzenesulfonate; iron(2+) Traditional Name: ferrous 2-hexylbesylate Formula: C12H17FeO3S+ MolecularWeight: 297.17158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

CCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/C12H18O3S.Fe/c1-2-3-4-5-8-11-9-6-7-10-12(11)16(13,14)15;/h6-7,9-10H,2-5,8H2,1H3,(H,13,14,15);/q;+2/p-1