ASY
Summary
| Name: | (12E)-10-oxooctadec-12-enoic acid |
| Formula: | C18 H32 O3 |
| Formal charge: | 0 |
| Formula weight: | 296.445 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (12E)-10-oxooctadec-12-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-10-oxooctadec-12-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C/C=C/CCCCC)CCCCCCCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C\CC(=O)CCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CCC(=O)CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CCC(=O)CCCCCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8+ |
| InChIKey | InChI | 1.03 | IEQLMTRAAYQDSD-DHZHZOJOSA-N |
