X3T
Summary
| Name: | cyclohexa-2,5-diene-1,1-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 | cyclohexa-2,5-diene-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h2-5,7-8H,1H2 |
| InChIKey | InChI | 1.06 | PCGBVGIPMKGMRM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1(O)C=CCC=C1 |
| SMILES | CACTVS | 3.385 | OC1(O)C=CCC=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C=CC(C=C1)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C=CC(C=C1)(O)O |
