3,4-dimethylfuran-2,5-dione; iron(2+)

Systemtic Name: 3,4-dimethylfuran-2,5-dione; iron(2+) Openeye Name: ferrous 3,4-dimethylfuran-2,5-dione CAS Name: 3,4-dimethylfuran-2,5-dione; iron(2+) IUPAC Name: 3,4-dimethylfuran-2,5-dione; iron(2+) Traditional Name: ferrous 3,4-dimethylfuran-2,5-quinone Formula: C36H36FeO18+2 MolecularWeight: 812.50524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.[Fe+2]

Isomeric SMILES

CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.CC1=C(C(=O)OC1=O)C.[Fe+2]

InChI

InChI=1S/6C6H6O3.Fe/c6*1-3-4(2)6(8)9-5(3)7;/h6*1-2H3;/q;;;;;;+2