4-ethylbenzenesulfonate; iron(3+)

Systemtic Name: 4-ethylbenzenesulfonate; iron(3+) Openeye Name: ferric 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonate; iron(3+) IUPAC Name: 4-ethylbenzenesulfonate; iron(3+) Traditional Name: ferric 4-ethylbesylate Formula: C24H27FeO9S3 MolecularWeight: 611.50578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CCC1=CC=C(C=C1)S(=O)(=O)[O-].CCC1=CC=C(C=C1)S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CCC1=CC=C(C=C1)S(=O)(=O)[O-].CCC1=CC=C(C=C1)S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/3C8H10O3S.Fe/c3*1-2-7-3-5-8(6-4-7)12(9,10)11;/h3*3-6H,2H2,1H3,(H,9,10,11);/q;;;+3/p-3