13S
Summary
| Name: | 13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID |
| Formula: | C18 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 312.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCC/C=C\C=C\C(OO)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH](OO)C=CC=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(C=CC=CCCCCCCCC(=O)O)OO |
| InChI | InChI | 1.03 | InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | JDSRHVWSAMTSSN-IRQZEAMPSA-N |
