(E,2S,5S)-2-hexyl-5-oxidanyl-hexadec-3-enoic acid

Systemtic Name: (E,2S,5S)-2-hexyl-5-oxidanyl-hexadec-3-enoic acid Openeye Name: (E,2S,5S)-2-hexyl-5-hydroxy-hexadec-3-enoic acid CAS Name: (E,2S,5S)-2-hexyl-5-hydroxy-3-hexadecenoic acid IUPAC Name: (E,2S,5S)-2-hexyl-5-hydroxyhexadec-3-enoic acid Traditional Name: (E,2S,5S)-2-hexyl-5-hydroxy-hexadec-3-enoic acid Formula: C22H42O3 MolecularWeight: 354.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C=CC(CCCCCC)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCC[C@@H](/C=C/[C@H](CCCCCC)C(=O)O)O

InChI

InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-15-17-21(23)19-18-20(22(24)25)16-14-8-6-4-2/h18-21,23H,3-17H2,1-2H3,(H,24,25)/b19-18+/t20-,21-/m0/s1