(3S,4R)-4-[(1S,2S)-1-bromanyl-2-oxidanyl-tridecyl]-3-hexyl-oxetan-2-one

Systemtic Name: (3S,4R)-4-[(1S,2S)-1-bromanyl-2-oxidanyl-tridecyl]-3-hexyl-oxetan-2-one Openeye Name: (3S,4R)-4-[(1S,2S)-1-bromo-2-hydroxy-tridecyl]-3-hexyl-oxetan-2-one CAS Name: (3S,4R)-4-[(1S,2S)-1-bromo-2-hydroxytridecyl]-3-hexyl-2-oxetanone IUPAC Name: (3S,4R)-4-[(1S,2S)-1-bromo-2-hydroxytridecyl]-3-hexyloxetan-2-one Traditional Name: (3S,4R)-4-[(1S,2S)-1-bromo-2-hydroxy-tridecyl]-3-hexyl-oxetan-2-one Formula: C22H41BrO3 MolecularWeight: 433.46314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C1C(C(=O)O1)CCCCCC)Br)O

Isomeric SMILES

CCCCCCCCCCC[C@@H]([C@@H]([C@H]1[C@@H](C(=O)O1)CCCCCC)Br)O

InChI

InChI=1S/C22H41BrO3/c1-3-5-7-9-10-11-12-13-15-17-19(24)20(23)21-18(22(25)26-21)16-14-8-6-4-2/h18-21,24H,3-17H2,1-2H3/t18-,19-,20-,21+/m0/s1