dioxidanium; iron(2+); 3-methylpiperidin-1-ide-2-sulfonic acid; 3-methyl-2H-pyridin-1-ide-2-sulfonic acid

Systemtic Name: dioxidanium; iron(2+); 3-methylpiperidin-1-ide-2-sulfonic acid; 3-methyl-2H-pyridin-1-ide-2-sulfonic acid Openeye Name: ferrous; dioxonium; 3-methylpiperidin-1-ide-2-sulfonic acid; 3-methyl-2H-pyridin-1-ide-2-sulfonic acid CAS Name: dioxonium; iron(2+); 3-methyl-2-piperidin-1-idesulfonic acid; 3-methyl-2H-pyridin-1-ide-2-sulfonic acid IUPAC Name: dioxidanium; iron(2+); 3-methylpiperidin-1-ide-2-sulfonic acid; 3-methyl-2H-pyridin-1-ide-2-sulfonic acid Traditional Name: ferrous; dioxonium; 3-methylpiperidin-1-ide-2-sulfonic acid; 3-methyl-2H-pyridin-1-ide-2-sulfonic acid Formula: C12H26FeN2O8S2+2 MolecularWeight: 446.31844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N-]C1S(=O)(=O)O.CC1=CC=C[N-]C1S(=O)(=O)O.[OH3+].[OH3+].[Fe+2]

Isomeric SMILES

CC1CCC[N-]C1S(=O)(=O)O.CC1=CC=C[N-]C1S(=O)(=O)O.[OH3+].[OH3+].[Fe+2]

InChI

InChI=1S/C6H12NO3S.C6H8NO3S.Fe.2H2O/c2*1-5-3-2-4-7-6(5)11(8,9)10;;;/h5-6H,2-4H2,1H3,(H,8,9,10);2-4,6H,1H3,(H,8,9,10);;2*1H2/q2*-1;+2;;/p+2