[(2S)-1-bromanyl-3-hexadecoxy-propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-bromanyl-3-hexadecoxy-propan-2-yl] ethanoate Openeye Name: [(1S)-1-(bromomethyl)-2-hexadecoxy-ethyl] acetate CAS Name: acetic acid [(2S)-1-bromo-3-hexadecoxypropan-2-yl] ester IUPAC Name: [(2S)-1-bromo-3-hexadecoxypropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-(bromomethyl)-2-cetyloxy-ethyl] ester Formula: C21H41BrO3 MolecularWeight: 421.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CBr)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@@H](CBr)OC(=O)C

InChI

InChI=1S/C21H41BrO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21H,3-19H2,1-2H3/t21-/m1/s1