iron; 2-methyl-5-oxidanyl-pyran-4-one

Systemtic Name: iron; 2-methyl-5-oxidanyl-pyran-4-one Openeye Name: 5-hydroxy-2-methyl-pyran-4-one; iron CAS Name: 5-hydroxy-2-methyl-4-pyranone; iron IUPAC Name: 5-hydroxy-2-methylpyran-4-one; iron Traditional Name: 5-hydroxy-2-methyl-pyran-4-one; iron Formula: C18H18FeO9 MolecularWeight: 434.17512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CO1)O.CC1=CC(=O)C(=CO1)O.CC1=CC(=O)C(=CO1)O.[Fe]

Isomeric SMILES

CC1=CC(=O)C(=CO1)O.CC1=CC(=O)C(=CO1)O.CC1=CC(=O)C(=CO1)O.[Fe]

InChI

InChI=1S/3C6H6O3.Fe/c3*1-4-2-5(7)6(8)3-9-4;/h3*2-3,8H,1H3;