NK2
Summary
| Name: | (1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL |
| Formula: | C8 H15 O2 S |
| Formal charge: | 1 |
| Formula weight: | 175.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2S,8aS)-1,2-dihydroxyoctahydrothieno[1,2-a]thiopyranium (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (1R,2S,4R,8aS)-1,2,3,5,6,7,8,8a-octahydrothieno[1,2-a]thiopyran-4-ium-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC2C1[S+](CCCC1)CC2O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1C[S@@+]2CCCC[C@H]2[C@@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1C[S+]2CCCC[CH]2[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC[S+]2CC(C(C2C1)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15O2S/c9-6-5-11-4-2-1-3-7(11)8(6)10/h6-10H,1-5H2/q+1/t6-,7+,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | CTIJTKTUZSCTEC-FBSDJGSXSA-N |
