DB5
Summary
| Name: | [(4~{S})-4,5,6,7,8,9-hexahydro-1~{H}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate |
| Formula: | C9 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 211.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(4~{S})-4,5,6,7,8,9-hexahydro-1~{H}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O3/c13-9(14)15-7-5-3-1-2-4-6-8(7)11-12-10-6/h7H,1-5H2,(H,13,14)(H,10,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZBJGIWFCJONVKZ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)O[C@H]1CCCCCc2[nH]nnc12 |
| SMILES | CACTVS | 3.385 | OC(=O)O[CH]1CCCCCc2[nH]nnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCc2c(nn[nH]2)C(CC1)OC(=O)O |
