T24
Summary
| Name: | (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid |
| Formula: | C18 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid |
| OpenEye OEToolkits | 1.5.0 | (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCC/C=C\C=C\C(O)C\C=C/CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC\C=C/C[C@H](O)/C=C/C=C\CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCC=CC[CH](O)C=CC=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC=CCC(C=CC=CCCCCCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | KLLGGGQNRTVBSU-FQSPHKRJSA-N |
