HNE
Summary
| Name: | (2E,4R)-4-HYDROXYNON-2-ENAL |
| Formula: | C9 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 156.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E,4R)-4-hydroxynon-2-enal |
| OpenEye OEToolkits | 1.5.0 | (4R)-4-hydroxynon-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C/C=C/C(O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@@H](O)/C=C/C=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH](O)C=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@H](C=CC=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(C=CC=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | JVJFIQYAHPMBBX-VPIOIWJLSA-N |
