A1EJG
Summary
| Name: | (2~{E})-2-(phenylmethylidene)octanal |
| Synonyms: | alpha-Hexylcinnamaldehyde Hexyl cinnamic aldehyde; 2-Benzylideneoctanal |
| Formula: | C15 H20 O |
| Formal charge: | 0 |
| Formula weight: | 216.319 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{E})-2-(phenylmethylidene)octanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+ |
| InChIKey | InChI | 1.06 | GUUHFMWKWLOQMM-NTCAYCPXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(\C=O)=C/c1ccccc1 |
| SMILES | CACTVS | 3.385 | CCCCCCC(C=O)=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC/C(=C\c1ccccc1)/C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=Cc1ccccc1)C=O |
