N8C
Summary
| Name: | 1-nitrooctane |
| Formula: | C8 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 159.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-nitrooctane |
| OpenEye OEToolkits | 1.5.0 | 1-nitrooctane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CCCCCCCC[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3 |
| InChIKey | InChI | 1.03 | KLGHUFNKRIWCDQ-UHFFFAOYSA-N |
