tert-butyl (E,2S,3S)-2-bromanyl-3-oxidanyl-octadec-4-enoate

Systemtic Name: tert-butyl (E,2S,3S)-2-bromanyl-3-oxidanyl-octadec-4-enoate Openeye Name: tert-butyl (E,2S,3S)-2-bromo-3-hydroxy-octadec-4-enoate CAS Name: (E,2S,3S)-2-bromo-3-hydroxy-4-octadecenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S,3S)-2-bromo-3-hydroxyoctadec-4-enoate Traditional Name: (E,2S,3S)-2-bromo-3-hydroxy-octadec-4-enoic acid tert-butyl ester Formula: C22H41BrO3 MolecularWeight: 433.46314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(=O)OC(C)(C)C)Br)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](C(=O)OC(C)(C)C)Br)O

InChI

InChI=1S/C22H41BrO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(24)20(23)21(25)26-22(2,3)4/h17-20,24H,5-16H2,1-4H3/b18-17+/t19-,20-/m0/s1