2-azanyl-3-sulfanyl-propanoate; iron(2+); disulfate

Systemtic Name: 2-azanyl-3-sulfanyl-propanoate; iron(2+); disulfate Openeye Name: triferrous 2-amino-3-sulfanyl-propanoate disulfate CAS Name: 2-amino-3-mercaptopropanoate; iron(2+); disulfate IUPAC Name: 2-amino-3-sulfanylpropanoate; iron(2+); disulfate Traditional Name: triferrous 2-amino-3-mercapto-propionate disulfate Formula: C6H12Fe3N2O12S4 MolecularWeight: 599.96068

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)[O-])N)S.C(C(C(=O)[O-])N)S.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

C(C(C(=O)[O-])N)S.C(C(C(=O)[O-])N)S.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/2C3H7NO2S.3Fe.2H2O4S/c2*4-2(1-7)3(5)6;;;;2*1-5(2,3)4/h2*2,7H,1,4H2,(H,5,6);;;;2*(H2,1,2,3,4)/q;;3*+2;;/p-6