(phenylmethyl) (2S,3S)-2-bromanyl-3-oxidanyl-hexanoate

Systemtic Name: (phenylmethyl) (2S,3S)-2-bromanyl-3-oxidanyl-hexanoate Openeye Name: benzyl (2S,3S)-2-bromo-3-hydroxy-hexanoate CAS Name: (2S,3S)-2-bromo-3-hydroxyhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-2-bromo-3-hydroxyhexanoate Traditional Name: (2S,3S)-2-bromo-3-hydroxy-hexanoic acid benzyl ester Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)OCC1=CC=CC=C1)Br)O

Isomeric SMILES

CCC[C@@H]([C@@H](C(=O)OCC1=CC=CC=C1)Br)O

InChI

InChI=1S/C13H17BrO3/c1-2-6-11(15)12(14)13(16)17-9-10-7-4-3-5-8-10/h3-5,7-8,11-12,15H,2,6,9H2,1H3/t11-,12-/m0/s1