10X
Summary
| Name: | (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid |
| Formula: | C18 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (Z)-11-[(2S,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-9-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCC/C=C\CC1OC1C\C=C/CC |
| InChI | InChI | 1.03 | InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | BKKGUKSHPCTUGE-WXDGQRKDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC\C=C/C[C@@H]1O[C@H]1C\C=C/CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.370 | CCC=CC[CH]1O[CH]1CC=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O |
