6OC
Summary
| Name: | (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid |
| Formula: | C18 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 310.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (8R,9Z,12Z)-8-hydroxy-6-oxo-octadeca-9,12-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCC(=O)CC(O)\C=C/C\C=C/CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C/C/C=C\[C@H](O)CC(=O)CCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CCC=C[CH](O)CC(=O)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CCC=CC(CC(=O)CCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16,19H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | MLHUENSFQCPBQH-ZBKJIUGYSA-N |
