EOD
Summary
| Name: | 11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID |
| Synonyms: | (+-)-CIS-12,13-EPOXY-9(Z)-OCTADECANOIC ACID LEUKOTOXIN B; (+-)-VERNOLIC ACID |
| Formula: | C18 H34 O3 |
| Formal charge: | 0 |
| Formula weight: | 298.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 11-[(2R,3S)-3-pentyloxiran-2-yl]undecanoic acid |
| OpenEye OEToolkits | 1.5.0 | 11-[(2R,3S)-3-pentyloxiran-2-yl]undecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCCCCC1OC1CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@@H]1O[C@@H]1CCCCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH]1O[CH]1CCCCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC1C(O1)CCCCCCCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | AHXFZOAYPPCFEB-DLBZAZTESA-N |
