3-methyl-6-(4-methyl-3-oxidanylidene-hexan-2-yl)-2-oxidanyl-pyran-4-one

Systemtic Name: 3-methyl-6-(4-methyl-3-oxidanylidene-hexan-2-yl)-2-oxidanyl-pyran-4-one Openeye Name: 6-(1,3-dimethyl-2-oxo-pentyl)-2-hydroxy-3-methyl-pyran-4-one CAS Name: 2-hydroxy-3-methyl-6-(4-methyl-3-oxohexan-2-yl)-4-pyranone IUPAC Name: 2-hydroxy-3-methyl-6-(4-methyl-3-oxohexan-2-yl)pyran-4-one Traditional Name: 2-hydroxy-6-(2-keto-1,3-dimethyl-pentyl)-3-methyl-pyran-4-one Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(C)C1=CC(=O)C(=C(O1)O)C

Isomeric SMILES

CCC(C)C(=O)C(C)C1=CC(=O)C(=C(O1)O)C

InChI

InChI=1S/C13H18O4/c1-5-7(2)12(15)9(4)11-6-10(14)8(3)13(16)17-11/h6-7,9,16H,5H2,1-4H3