772
Summary
| Name: | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE |
| Synonyms: | RU79072 |
| Formula: | C10 H7 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 250.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-cyanoquinolin-8-yl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | (2-cyanoquinolin-8-yl) dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)Oc1cccc2ccc(C#N)nc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)Oc1cccc2ccc(nc12)C#N |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)Oc1cccc2ccc(nc12)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N |
| InChI | InChI | 1.03 | InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | NQLPTOOPFMPCHQ-UHFFFAOYSA-N |
