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

Systemtic Name: 2-(butoxymethyl)-5-oxidanyl-pyran-4-one; iron Openeye Name: 2-(butoxymethyl)-5-hydroxy-pyran-4-one; iron CAS Name: 2-(butoxymethyl)-5-hydroxy-4-pyranone; iron IUPAC Name: 2-(butoxymethyl)-5-hydroxypyran-4-one; iron Traditional Name: 2-(butoxymethyl)-5-hydroxy-pyran-4-one; iron Formula: C30H42FeO12 MolecularWeight: 650.49228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CC(=O)C(=CO1)O.CCCCOCC1=CC(=O)C(=CO1)O.CCCCOCC1=CC(=O)C(=CO1)O.[Fe]

Isomeric SMILES

CCCCOCC1=CC(=O)C(=CO1)O.CCCCOCC1=CC(=O)C(=CO1)O.CCCCOCC1=CC(=O)C(=CO1)O.[Fe]

InChI

InChI=1S/3C10H14O4.Fe/c3*1-2-3-4-13-6-8-5-9(11)10(12)7-14-8;/h3*5,7,12H,2-4,6H2,1H3;