iron(2+); methylbenzene; trisulfite

Systemtic Name: iron(2+); methylbenzene; trisulfite Openeye Name: triferrous toluene trisulfite CAS Name: iron(2+); toluene; trisulfite IUPAC Name: iron(2+); toluene; trisulfite Traditional Name: triferrous toluene trisulfite Formula: C21H24Fe3O9S3 MolecularWeight: 684.13986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/3C7H8.3Fe.3H2O3S/c3*1-7-5-3-2-4-6-7;;;;3*1-4(2)3/h3*2-6H,1H3;;;;3*(H2,1,2,3)/q;;;3*+2;;;/p-6