(3-methyl-6-oxidanyl-octan-4-yl) 3-oxidanylidenebutanoate

Systemtic Name: (3-methyl-6-oxidanyl-octan-4-yl) 3-oxidanylidenebutanoate Openeye Name: (3-hydroxy-1-sec-butyl-pentyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid (6-hydroxy-3-methyloctan-4-yl) ester IUPAC Name: (6-hydroxy-3-methyloctan-4-yl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid (3-hydroxy-1-sec-butyl-pentyl) ester Formula: C13H24O4 MolecularWeight: 244.32726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O4/c1-5-9(3)12(8-11(15)6-2)17-13(16)7-10(4)14/h9,11-12,15H,5-8H2,1-4H3