3-hexanoyl-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-hexanoyl-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-hexanoyl-2-hydroxy-6-methyl-pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-(1-oxohexyl)-4-pyranone IUPAC Name: 3-hexanoyl-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-caproyl-2-hydroxy-6-methyl-pyran-4-one Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(OC(=CC1=O)C)O

Isomeric SMILES

CCCCCC(=O)C1=C(OC(=CC1=O)C)O

InChI

InChI=1S/C12H16O4/c1-3-4-5-6-9(13)11-10(14)7-8(2)16-12(11)15/h7,15H,3-6H2,1-2H3