58X
Summary
| Name: | (2E)-3,7-dimethylocta-2,6-dienoic acid |
| Formula: | C10 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3,7-dimethylocta-2,6-dienoic acid |
| OpenEye OEToolkits | 1.9.2 | (2E)-3,7-dimethylocta-2,6-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=[C@H]CCC(=[C@H]C(O)=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+ |
| InChIKey | InChI | 1.03 | ZHYZQXUYZJNEHD-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=CCC/C(=C/C(=O)O)/C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=CCCC(=CC(=O)O)C)C |
