ethylbenzene; iron(3+); trisulfate

Systemtic Name: ethylbenzene; iron(3+); trisulfate Openeye Name: diferric ethylbenzene trisulfate CAS Name: ethylbenzene; iron(3+); trisulfate IUPAC Name: ethylbenzene; iron(3+); trisulfate Traditional Name: diferric ethylbenzene trisulfate Formula: C24H30Fe2O12S3 MolecularWeight: 718.3728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H10.2Fe.3H2O4S/c3*1-2-8-6-4-3-5-7-8;;;3*1-5(2,3)4/h3*3-7H,2H2,1H3;;;3*(H2,1,2,3,4)/q;;;2*+3;;;/p-6