[(2S)-1-bromanyloctan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2S)-1-bromanyloctan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1S)-1-(bromomethyl)heptyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [(2S)-1-bromooctan-2-yl] ester IUPAC Name: [(2S)-1-bromooctan-2-yl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [(1S)-1-(bromomethyl)heptyl] ester Formula: C16H23BrO3 MolecularWeight: 343.25602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CBr)OC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CCCCCC[C@@H](CBr)OC(=O)[C@H](C1=CC=CC=C1)O

InChI

InChI=1S/C16H23BrO3/c1-2-3-4-8-11-14(12-17)20-16(19)15(18)13-9-6-5-7-10-13/h5-7,9-10,14-15,18H,2-4,8,11-12H2,1H3/t14-,15-/m0/s1