2-ethyl-5-methyl-4-oxidanyl-furan-3-one; iron(2+)

Systemtic Name: 2-ethyl-5-methyl-4-oxidanyl-furan-3-one; iron(2+) Openeye Name: ferrous 2-ethyl-4-hydroxy-5-methyl-furan-3-one CAS Name: 2-ethyl-4-hydroxy-5-methyl-3-furanone; iron(2+) IUPAC Name: 2-ethyl-4-hydroxy-5-methylfuran-3-one; iron(2+) Traditional Name: ferrous 2-ethyl-4-hydroxy-5-methyl-furan-3-one Formula: C21H30FeO9+2 MolecularWeight: 482.3025

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C(=C(O1)C)O.CCC1C(=O)C(=C(O1)C)O.CCC1C(=O)C(=C(O1)C)O.[Fe+2]

Isomeric SMILES

CCC1C(=O)C(=C(O1)C)O.CCC1C(=O)C(=C(O1)C)O.CCC1C(=O)C(=C(O1)C)O.[Fe+2]

InChI

InChI=1S/3C7H10O3.Fe/c3*1-3-5-7(9)6(8)4(2)10-5;/h3*5,8H,3H2,1-2H3;/q;;;+2