3-(2-ethylbutanoyl)-6-methyl-2-oxidanyl-pyran-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=C(OC(=CC1=O)C)O

Isomeric SMILES

CCC(CC)C(=O)C1=C(OC(=CC1=O)C)O

InChI

InChI=1S/C12H16O4/c1-4-8(5-2)11(14)10-9(13)6-7(3)16-12(10)15/h6,8,15H,4-5H2,1-3H3