EN8
Summary
| Name: | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine |
| Formula: | C12 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 239.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO4/c1-11(14-3)12(2,15-4)17-10-7-8(13)5-6-9(10)16-11/h5-7H,13H2,1-4H3/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | NUAVTOFNYXFNFD-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@]1(C)Oc2ccc(N)cc2O[C@@]1(C)OC |
| SMILES | CACTVS | 3.385 | CO[C]1(C)Oc2ccc(N)cc2O[C]1(C)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(Oc2cc(ccc2O1)N)(C)OC)OC |
