WWE
Summary
| Name: | 3-dodecylsulfanyl-3-methyl-butanoic acid |
| Formula: | C17 H34 O2 S |
| Formal charge: | 0 |
| Formula weight: | 302.516 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-dodecylsulfanyl-3-methyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(2,3)15-16(18)19/h4-15H2,1-3H3,(H,18,19) |
| InChIKey | InChI | 1.06 | FVOHTIJLQOWWCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCSC(C)(C)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCSC(C)(C)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCSC(C)(C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCSC(C)(C)CC(=O)O |
