(E)-but-2-enedioic acid; iron(2+); hexahydrate

Systemtic Name: (E)-but-2-enedioic acid; iron(2+); hexahydrate Openeye Name: ferrous fumaric acid hexahydrate CAS Name: (E)-2-butenedioic acid; iron(2+); hexahydrate IUPAC Name: (E)-but-2-enedioic acid; iron(2+); hexahydrate Traditional Name: ferrous fumaric acid hexahydrate Formula: C8H20FeO14+2 MolecularWeight: 396.081

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Descriptors Computed from Structure

Canonical SMILES:

C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.O.O.O.O.O.O.[Fe+2]

Isomeric SMILES

C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.O.O.O.O.O.O.[Fe+2]

InChI

InChI=1S/2C4H4O4.Fe.6H2O/c2*5-3(6)1-2-4(7)8;;;;;;;/h2*1-2H,(H,5,6)(H,7,8);;6*1H2/q;;+2;;;;;;/b2*2-1+;;;;;;;