A1IRB
Summary
| Name: | cis-5-dodecenoic acid |
| Synonyms: | (~{E})-dodec-5-enoic acid |
| Formula: | C12 H22 O2 |
| Formal charge: | 0 |
| Formula weight: | 198.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-dodec-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+ |
| InChIKey | InChI | 1.06 | IJBFSOLHRKELLR-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC\C=C\CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC/C=C/CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC=CCCCC(=O)O |
