iron(3+); methylbenzene; trisulfate

Systemtic Name: iron(3+); methylbenzene; trisulfate Openeye Name: diferric toluene trisulfate CAS Name: iron(3+); toluene; trisulfate IUPAC Name: iron(3+); toluene; trisulfate Traditional Name: diferric toluene trisulfate Formula: C21H24Fe2O12S3 MolecularWeight: 676.29306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=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/3C7H8.2Fe.3H2O4S/c3*1-7-5-3-2-4-6-7;;;3*1-5(2,3)4/h3*2-6H,1H3;;;3*(H2,1,2,3,4)/q;;;2*+3;;;/p-6