9GE
Summary
| Name: | (~{E})-13-methyltetradec-2-enoic acid |
| Formula: | C15 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 240.382 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-13-methyltetradec-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h11,13-14H,3-10,12H2,1-2H3,(H,16,17)/b13-11+ |
| InChIKey | InChI | 1.03 | HNGBGNIRFVZXOQ-ACCUITESSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCCCCCCCC\C=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CCCCCCCCCC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CCCCCCCCC/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CCCCCCCCCC=CC(=O)O |
