OJ6
Summary
| Name: | (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol |
| Formula: | C6 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R,2S,3S,4S)-cyclohexane-1,2,3,4-tetrol |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CCC(O)C(O)C1O |
| InChI | InChI | 1.06 | InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | WESBWDZFWNIVRV-FSIIMWSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(C(C(C1O)O)O)O |
