iron(3+); methylbenzene; trisulfite

Systemtic Name: iron(3+); methylbenzene; trisulfite Openeye Name: ferric toluene trisulfite CAS Name: iron(3+); toluene; trisulfite IUPAC Name: iron(3+); toluene; trisulfite Traditional Name: ferric toluene trisulfite Formula: C7H8FeO9S3-3 MolecularWeight: 388.17302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.Fe.3H2O3S/c1-7-5-3-2-4-6-7;;3*1-4(2)3/h2-6H,1H3;;3*(H2,1,2,3)/q;+3;;;/p-6