P3K
Summary
| Name: | 2,3-bis(oxidanyl)benzenecarbonitrile |
| Formula: | C7 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 135.12 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,3-bis(oxidanyl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H |
| InChIKey | InChI | 1.03 | XHPDHXXZBWDFIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(C#N)c1O |
| SMILES | CACTVS | 3.385 | Oc1cccc(C#N)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)O)C#N |
