J1W
Summary
| Name: | 2-Bromopalmitic acid |
| Formula: | C16 H31 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 335.32 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-bromanylhexadecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | DPRAYRYQQAXQPE-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCC[C@@H](Br)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCC[CH](Br)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCC[C@H](C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCC(C(=O)O)Br |
