E2Y
Summary
| Name: | (R)-2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyacetonitrile |
| Synonyms: | (R)-alpha-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-6-acetonitrile |
| Formula: | C12 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 219.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(2,2-dimethyl-4~{H}-1,3-benzodioxin-6-yl)-2-oxidanyl-ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13NO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5,10,14H,7H2,1-2H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | MMAANSPOXIONGY-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)OCc2cc(ccc2O1)[C@@H](O)C#N |
| SMILES | CACTVS | 3.385 | CC1(C)OCc2cc(ccc2O1)[CH](O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(OCc2cc(ccc2O1)[C@H](C#N)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(OCc2cc(ccc2O1)C(C#N)O)C |
