iron; 5-oxidanyl-2-(propoxymethyl)pyran-4-one

Systemtic Name: iron; 5-oxidanyl-2-(propoxymethyl)pyran-4-one Openeye Name: 5-hydroxy-2-(propoxymethyl)pyran-4-one; iron CAS Name: 5-hydroxy-2-(propoxymethyl)-4-pyranone; iron IUPAC Name: 5-hydroxy-2-(propoxymethyl)pyran-4-one; iron Traditional Name: 5-hydroxy-2-(propoxymethyl)pyran-4-one; iron Formula: C27H36FeO12 MolecularWeight: 608.41254

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC(=O)C(=CO1)O.CCCOCC1=CC(=O)C(=CO1)O.CCCOCC1=CC(=O)C(=CO1)O.[Fe]

Isomeric SMILES

CCCOCC1=CC(=O)C(=CO1)O.CCCOCC1=CC(=O)C(=CO1)O.CCCOCC1=CC(=O)C(=CO1)O.[Fe]

InChI

InChI=1S/3C9H12O4.Fe/c3*1-2-3-12-5-7-4-8(10)9(11)6-13-7;/h3*4,6,11H,2-3,5H2,1H3;