A1E25
Summary
| Name: | (1~{S},2~{R})-cyclohexa-3,5-diene-1,2-diol |
| Formula: | C6 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 112.127 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R})-cyclohexa-3,5-diene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6+ |
| InChIKey | InChI | 1.06 | YDRSQRPHLBEPTP-OLQVQODUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C=CC=C[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1C=CC=C[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C[C@H]([C@H](C=C1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(C(C=C1)O)O |
