790
Summary
| Name: | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE |
| Synonyms: | RU79073 |
| Formula: | C9 H12 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 229.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)Oc1cccc2c1NCCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)Oc1cccc2CCCNc12 |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)Oc1cccc2CCCNc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)OP(=O)(O)O)NCCC2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)OP(=O)(O)O)NCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | NSJSAHCLJYVEDM-UHFFFAOYSA-N |
