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 |