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

Systemtic Name: [(2R)-octan-2-yl] 4-bromanyl-3-oxidanylidene-butanoate Openeye Name: [(1R)-1-methylheptyl] 4-bromo-3-oxo-butanoate CAS Name: 4-bromo-3-oxobutanoic acid [(2R)-octan-2-yl] ester IUPAC Name: [(2R)-octan-2-yl] 4-bromo-3-oxobutanoate Traditional Name: 4-bromo-3-keto-butyric acid [(1R)-1-methylheptyl] ester Formula: C12H21BrO3 MolecularWeight: 293.19734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1