3-hexyl-4-[(E)-2-oxidanyltridec-5-enyl]oxetan-2-one

Systemtic Name: 3-hexyl-4-[(E)-2-oxidanyltridec-5-enyl]oxetan-2-one Openeye Name: 3-hexyl-4-[(E)-2-hydroxytridec-5-enyl]oxetan-2-one CAS Name: 3-hexyl-4-[(E)-2-hydroxytridec-5-enyl]-2-oxetanone IUPAC Name: 3-hexyl-4-[(E)-2-hydroxytridec-5-enyl]oxetan-2-one Traditional Name: 3-hexyl-4-[(E)-2-hydroxytridec-5-enyl]oxetan-2-one Formula: C22H40O3 MolecularWeight: 352.5512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCC(CC1C(C(=O)O1)CCCCCC)O

Isomeric SMILES

CCCCCCC/C=C/CCC(CC1C(C(=O)O1)CCCCCC)O

InChI

InChI=1S/C22H40O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h12-13,19-21,23H,3-11,14-18H2,1-2H3/b13-12+