1,3-bis(oxidanyl)propan-2-yl 3-butanoyloxybutanoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 3-butanoyloxybutanoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 3-butanoyloxybutanoate CAS Name: 3-(1-oxobutoxy)butanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 3-butanoyloxybutanoate Traditional Name: 3-butyryloxybutyric acid (2-hydroxy-1-methylol-ethyl) ester Formula: C11H20O6 MolecularWeight: 248.2729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)CC(=O)OC(CO)CO

Isomeric SMILES

CCCC(=O)OC(C)CC(=O)OC(CO)CO

InChI

InChI=1S/C11H20O6/c1-3-4-10(14)16-8(2)5-11(15)17-9(6-12)7-13/h8-9,12-13H,3-7H2,1-2H3