(3S,4S)-3-hexyl-4-[(E,2R)-2-oxidanylhept-5-enyl]oxetan-2-one

Systemtic Name: (3S,4S)-3-hexyl-4-[(E,2R)-2-oxidanylhept-5-enyl]oxetan-2-one Openeye Name: (3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxyhept-5-enyl]oxetan-2-one CAS Name: (3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxyhept-5-enyl]-2-oxetanone IUPAC Name: (3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxyhept-5-enyl]oxetan-2-one Traditional Name: (3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxyhept-5-enyl]oxetan-2-one Formula: C16H28O3 MolecularWeight: 268.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)CC(CCC=CC)O

Isomeric SMILES

CCCCCC[C@H]1[C@@H](OC1=O)C[C@@H](CC/C=C/C)O

InChI

InChI=1S/C16H28O3/c1-3-5-7-9-11-14-15(19-16(14)18)12-13(17)10-8-6-4-2/h4,6,13-15,17H,3,5,7-12H2,1-2H3/b6-4+/t13-,14+,15+/m1/s1