CTV
Summary
| Name: | (2Z)-3,7-dimethylocta-2,6-dienenitrile |
| Synonyms: | citralva |
| Formula: | C10 H15 N |
| Formal charge: | 0 |
| Formula weight: | 149.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-3,7-dimethylocta-2,6-dienenitrile |
| OpenEye OEToolkits | 1.7.2 | (2Z)-3,7-dimethylocta-2,6-dienenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#C\C=C(/CC/C=C(/C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCC\C(C)=C/C#N |
| SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=CCC/C(=C\C#N)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=CCCC(=CC#N)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7- |
| InChIKey | InChI | 1.03 | HLCSDJLATUNSSI-YFHOEESVSA-N |
