7NR
Summary
| Name: | 9-Hydroxyoctadecanoic acid |
| Synonyms: | 9-Hydroxystearic acid |
| Formula: | C18 H36 O3 |
| Formal charge: | 0 |
| Formula weight: | 300.477 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (9~{S})-9-oxidanyloctadecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | RKHXDCVAPIMDMG-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC[C@H](O)CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCC[CH](O)CCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC[C@@H](CCCCCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(CCCCCCCC(=O)O)O |
