PTD
Summary
| Name: | PENTANEDIAL |
| Formula: | C5 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 100.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pentanedial |
| OpenEye OEToolkits | 1.5.0 | pentanedial |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CCCCC=O |
| SMILES_CANONICAL | CACTVS | 3.341 | O=CCCCC=O |
| SMILES | CACTVS | 3.341 | O=CCCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC=O)CC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC=O)CC=O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 |
| InChIKey | InChI | 1.03 | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
