KZH
Summary
| Name: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid) |
| Formula: | C18 H28 O3 |
| Formal charge: | 0 |
| Formula weight: | 292.413 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 13-oxidanylideneoctadeca-9,11,15-trienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7?,11-3?,15-12+ |
| InChIKey | InChI | 1.03 | BNMYUQILBYIYOG-GLVBUJDASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/CC(=O)\C=C\C=C\CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CCC(=O)C=CC=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O |
