HOC
Summary
| Name: | (2S)-2-HYDROXYOCTANOIC ACID |
| Formula: | C8 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxyoctanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxyoctanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)CCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | JKRDADVRIYVCCY-ZETCQYMHSA-N |
