CNX
Summary
| Name: | heptanenitrile |
| Synonyms: | 1-cyanohexane |
| Formula: | C7 H13 N |
| Formal charge: | 0 |
| Formula weight: | 111.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | heptanenitrile |
| OpenEye OEToolkits | 1.5.0 | heptanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCC#N |
| SMILES | CACTVS | 3.341 | CCCCCCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCC#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC#N |
| InChI | InChI | 1.03 | InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3 |
| InChIKey | InChI | 1.03 | SDAXRHHPNYTELL-UHFFFAOYSA-N |
