[(2R)-octan-2-yl] 4-bromanyl-3-oxidanyl-butanoate

Systemtic Name: [(2R)-octan-2-yl] 4-bromanyl-3-oxidanyl-butanoate Openeye Name: [(1R)-1-methylheptyl] 4-bromo-3-hydroxy-butanoate CAS Name: 4-bromo-3-hydroxybutanoic acid [(2R)-octan-2-yl] ester IUPAC Name: [(2R)-octan-2-yl] 4-bromo-3-hydroxybutanoate Traditional Name: 4-bromo-3-hydroxy-butyric acid [(1R)-1-methylheptyl] ester Formula: C12H23BrO3 MolecularWeight: 295.21322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(CBr)O

Isomeric SMILES

CCCCCC[C@@H](C)OC(=O)CC(CBr)O

InChI

InChI=1S/C12H23BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10-11,14H,3-9H2,1-2H3/t10-,11?/m1/s1