KTC
Summary
| Name: | 10-oxooctadecanoic acid |
| Formula: | C18 H34 O3 |
| Formal charge: | 0 |
| Formula weight: | 298.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 10-oxooctadecanoic acid |
| OpenEye OEToolkits | 1.7.6 | 10-oxidanylideneoctadecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCCC(=O)CCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | BGKROBBCCGUUCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC(=O)CCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCC(=O)CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC(=O)CCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC(=O)CCCCCCCCC(=O)O |
