3ZQ
Summary
| Name: | (1S,2S)-cyclohexane-1,2-diol |
| Formula: | C6 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 116.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-cyclohexane-1,2-diol |
| OpenEye OEToolkits | 1.9.2 | (1S,2S)-cyclohexane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CCCCC1O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | PFURGBBHAOXLIO-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCC[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CCCC[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CC[C@@H]([C@H](C1)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCC(C(C1)O)O |
