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 |