WU3
Summary
| Name: | (2S)-2-dodecylsulfanylpropanoic acid |
| Formula: | C15 H30 O2 S |
| Formal charge: | 0 |
| Formula weight: | 274.462 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-dodecylsulfanylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | YXNWKYMLMYBZSA-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCS[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCS[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCS[C@@H](C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCSC(C)C(=O)O |
