7LQ
Summary
| Name: | (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol |
| Formula: | C7 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 144.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12O3/c8-4-5-2-1-3-6(9)7(5)10/h1,3,5-10H,2,4H2/t5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | JIULRVIFQNXLCR-FSDSQADBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1CC=C[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1CC=C[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C=C[C@H]([C@@H]([C@H]1CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C=CC(C(C1CO)O)O |
