8P2
Summary
| Name: | [(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium |
| Formula: | C7 H11 N2 O4 |
| Formal charge: | 1 |
| Formula weight: | 187.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H11N2O4/c8-9-1-2-3(10)4(11)5(12)7-6(2)13-7/h2-7,10-12H,1H2/q+1/t2-,3-,4+,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | KCJIBVJCJMAQKE-GEGSFZHJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@@H](C[N+]#N)[C@H]2O[C@H]2[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](C[N+]#N)[CH]2O[CH]2[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C2C1O2)O)O)O)[N+]#N |
