71J
Summary
| Name: | trans-cyclohexane-1,4-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 | trans-cyclohexane-1,4-diol |
| OpenEye OEToolkits | 2.0.5 | cyclohexane-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CCC(O)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6- |
| InChIKey | InChI | 1.03 | VKONPUDBRVKQLM-IZLXSQMJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CC[C@@H](O)CC1 |
| SMILES | CACTVS | 3.385 | O[CH]1CC[CH](O)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C1CC(CCC1O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C1CC(CCC1O)O |
