9HO
Summary
| Name: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
| Formula: | C18 H32 O3 |
| Formal charge: | 0 |
| Formula weight: | 296.445 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCC(O)\C=C\C=C/CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CC=C[CH](O)CCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CC=CC(CCCCCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | NPDSHTNEKLQQIJ-UINYOVNOSA-N |
