MH9
Summary
| Name: | (2E,4E)-DODECA-2,4-DIENOIC ACID |
| Formula: | C12 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 196.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E)-dodeca-2,4-dienoic acid |
| OpenEye OEToolkits | 1.7.0 | (2E,4E)-dodeca-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\C=C\CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCC/C=C/C=C/C(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCCC=CC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCCC/C=C/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCCC=CC=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+ |
| InChIKey | InChI | 1.03 | HQSBWLQFLLMPKC-BNFZFUHLSA-N |
