WGN
Summary
| Name: | (2S,3R)-3-dodecylsulfanyl-2-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 | (2~{S},3~{R})-3-dodecylsulfanyl-2-methyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16-/m1/s1 |
| InChIKey | InChI | 1.06 | YKCSGXHNGYGGRC-HZPDHXFCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCS[C@H](C)[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCS[C@H](C)[C@@H](C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCSC(C)C(C)C(=O)O |
