ELA
Summary
| Name: | 9-OCTADECENOIC ACID |
| Formula: | C18 H34 O2 |
| Formal charge: | 0 |
| Formula weight: | 282.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9E)-octadec-9-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-octadec-9-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCC/C=C/CCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC/C=C/CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCC=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC\C=C\CCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC=CCCCCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ |
| InChIKey | InChI | 1.03 | ZQPPMHVWECSIRJ-MDZDMXLPSA-N |
