methyl (2S)-4-methyl-5-oxidanylidene-2-pentyl-2H-furan-3-carboxylate

Systemtic Name: methyl (2S)-4-methyl-5-oxidanylidene-2-pentyl-2H-furan-3-carboxylate Openeye Name: methyl (2S)-4-methyl-5-oxo-2-pentyl-2H-furan-3-carboxylate CAS Name: (2S)-4-methyl-5-oxo-2-pentyl-2H-furan-3-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-5-oxo-2-pentyl-2H-furan-3-carboxylate Traditional Name: (2S)-2-amyl-5-keto-4-methyl-2H-furan-3-carboxylic acid methyl ester Formula: C12H18O4 MolecularWeight: 226.26892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(C(=O)O1)C)C(=O)OC

Isomeric SMILES

CCCCC[C@H]1C(=C(C(=O)O1)C)C(=O)OC

InChI

InChI=1S/C12H18O4/c1-4-5-6-7-9-10(12(14)15-3)8(2)11(13)16-9/h9H,4-7H2,1-3H3/t9-/m0/s1