1. Primary Information
| English name: | ethyl hexadecanoate;ethyl (9Z,12Z)-octadeca-9,12-dienoate;ethyl octadecanoate;ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;ethyl (Z)-octadec-9-enoate |
| CAS No.: | 8001-25-0 |
| Molecular formula: | C98H184O10 |
| Molecular weight: | 1522.5 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCC=CCCCCCCCC(=O)OCC.CCCCCC=CCC=CCCCCCCCC(=O)OCC.CCC=CCC=CCC=CCCCCCCCC(=O)OCC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50ml | CP | 44 | RT | in stock | - |
| Kehua Intelligence | 500ml | CP | 100 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethyl hexadecanoate;ethyl (9Z,12Z)-octadeca-9,12-dienoate;ethyl octadecanoate;ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;ethyl (Z)-octadec-9-enoate
4.2 InChI
InChI=1S/C20H40O2.C20H38O2.C20H36O2.C20H34O2.C18H36O2/c4*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-19H2,1-2H3;11-12H,3-10,13-19H2,1-2H3;8-9,11-12H,3-7,10,13-19H2,1-2H3;5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3;3-17H2,1-2H3/b;12-11-;9-8-,12-11-;6-5-,9-8-,12-11-;
4.3 InChIKey
NWUIOBPENFDKLG-IBAIYALWSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCC=CCCCCCCCC(=O)OCC.CCCCCC=CCC=CCCCCCCCC(=O)OCC.CCC=CCC=CCC=CCCCCCCCC(=O)OCC
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCC/C=C\CCCCCCCC(=O)OCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
