ethane-1,2-diamine; iron(3+); trisulfate

Systemtic Name: ethane-1,2-diamine; iron(3+); trisulfate Openeye Name: diferric ethane-1,2-diamine trisulfate CAS Name: ethane-1,2-diamine; iron(3+); trisulfate IUPAC Name: ethane-1,2-diamine; iron(3+); trisulfate Traditional Name: diferric 2-aminoethylamine trisulfate Formula: C12H48Fe2N12O12S3 MolecularWeight: 760.46772

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3]

Isomeric SMILES

C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3]

InChI

InChI=1S/6C2H8N2.2Fe.3H2O4S/c6*3-1-2-4;;;3*1-5(2,3)4/h6*1-4H2;;;3*(H2,1,2,3,4)/q;;;;;;2*+3;;;/p-6