0W5
Summary
| Name: | (2E,4E)-11-methyldodeca-2,4-dienoic acid |
| Formula: | C13 H22 O2 |
| Formal charge: | 0 |
| Formula weight: | 210.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E)-11-methyldodeca-2,4-dienoic acid |
| OpenEye OEToolkits | 1.7.6 | (2E,4E)-11-methyldodeca-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\C=C\CCCCCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H22O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,14,15)/b7-5+,11-9+ |
| InChIKey | InChI | 1.03 | WJLRHDFJRFVDLR-JEGFTUTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CCCCC/C=C/C=C/C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)CCCCCC=CC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CCCCC/C=C/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CCCCCC=CC=CC(=O)O |
