3-butanoyl-6-(2-methylpropyl)-2-oxidanyl-pyran-4-one

Systemtic Name: 3-butanoyl-6-(2-methylpropyl)-2-oxidanyl-pyran-4-one Openeye Name: 3-butanoyl-2-hydroxy-6-isobutyl-pyran-4-one CAS Name: 2-hydroxy-6-(2-methylpropyl)-3-(1-oxobutyl)-4-pyranone IUPAC Name: 3-butanoyl-2-hydroxy-6-(2-methylpropyl)pyran-4-one Traditional Name: 3-butyryl-2-hydroxy-6-isobutyl-pyran-4-one Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-4-5-10(14)12-11(15)7-9(6-8(2)3)17-13(12)16/h7-8,16H,4-6H2,1-3H3