UIT
Summary
Name: | (2R)-2-oxidanyloctanoic acid |
Formula: | C8 H16 O3 |
Formal charge: | 0 |
Formula weight: | 160.211 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{R})-2-oxidanyloctanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1 |
InChIKey | InChI | 1.06 | JKRDADVRIYVCCY-SSDOTTSWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[C@@H](O)C(O)=O |
SMILES | CACTVS | 3.385 | CCCCCC[CH](O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC[C@H](C(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(C(=O)O)O |