MDX
Summary
| Name: | 11-MERCAPTOUNDECANOIC ACID |
| Formula: | C11 H22 O2 S |
| Formal charge: | 0 |
| Formula weight: | 218.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 11-sulfanylundecanoic acid |
| OpenEye OEToolkits | 1.5.0 | 11-sulfanylundecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCCCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCCCCCCS |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCCCCCCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCCCCS)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCCCCS)CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13) |
| InChIKey | InChI | 1.03 | GWOLZNVIRIHJHB-UHFFFAOYSA-N |
