DQW
Summary
| Name: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol |
| Formula: | C6 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 134.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | AZUXKVXMJOIAOF-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)COC[C@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)COC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](COC[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(COCC(C)O)O |
