1EY
Summary
| Name: | (11Z,13Z)-hexadeca-11,13-dienal |
| Formula: | C16 H28 O |
| Formal charge: | 0 |
| Formula weight: | 236.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (11Z,13Z)-hexadeca-11,13-dienal |
| OpenEye OEToolkits | 1.7.6 | (11Z,13Z)-hexadeca-11,13-dienal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCCCCCCCCC/C=C\C=C/CC |
| InChI | InChI | 1.03 | InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5- |
| InChIKey | InChI | 1.03 | ZTJGMVSDMQAJPE-OUPQRBNQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC\C=C/C=C\CCCCCCCCCC=O |
| SMILES | CACTVS | 3.370 | CCC=CC=CCCCCCCCCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C=C\C=C/CCCCCCCCCC=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=CC=CCCCCCCCCCC=O |
