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 |