A1J28
Summary
| Name: | Butyl Cinnamate |
| Synonyms: | butyl (E)-3-phenylprop-2-enoate |
| Formula: | C13 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | butyl (~{E})-3-phenylprop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+ |
| InChIKey | InChI | 1.06 | OHHIVLJVBNCSHV-MDZDMXLPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOC(=O)\C=C\c1ccccc1 |
| SMILES | CACTVS | 3.385 | CCCCOC(=O)C=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOC(=O)/C=C/c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOC(=O)C=Cc1ccccc1 |
