1. Primary Information
| English name: | Cetoleic Acid |
| CAS No.: | 1002-96-6 |
| Molecular formula: | C22H42O2 |
| Molecular weight: | 338.6 g/mol |
| SMILES: | CCCCCCCCCCC=CCCCCCCCCCC(=O)O |
| Structural class: | |
| Other identifiers: |
11-docosenoic acid cetoleic acid cetoleic acid, (E)-isomer cetoleic acid, (Z)-isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | >98% | 6048 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(Z)-docos-11-enoic acid
4.2 InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
4.3 InChIKey
KJDZDTDNIULJBE-QXMHVHEDSA-N
4.4 Canonical SMILES
CCCCCCCCCCC=CCCCCCCCCCC(=O)O
4.5 Isomeric SMILES
CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
