A1MBN
Summary
| Name: | (3~{R})-3-methyl-3-oxidanyl-hexanoic acid |
| Formula: | C7 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 146.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-methyl-3-oxidanyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | RGRNSTGIHROKJB-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@](C)(O)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCC[C](C)(O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@](C)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C)(CC(=O)O)O |
