S1N
Summary
| Name: | (~{E})-4-methylnon-4-enedial |
| Formula: | C10 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-4-methylnon-4-enedial |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+ |
| InChIKey | InChI | 1.03 | AFKSPUYAXUNQPA-UXBLZVDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(CCC=O)=C/CCCC=O |
| SMILES | CACTVS | 3.385 | CC(CCC=O)=CCCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\CCCC=O)/CCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCCC=O)CCC=O |
