ZK8
Summary
| Name: | hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid |
| Formula: | C16 H21 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 336.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H21N2O4P/c1-2-3-4-5-12-23(20,21)22-14-9-7-11-18-16(14)15-13(19)8-6-10-17-15/h6-11,19H,2-5,12H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | QYCWYIQRYAMGGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O |
| SMILES | CACTVS | 3.385 | CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC[P@@](=O)(O)Oc1cccnc1c2c(cccn2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCP(=O)(O)Oc1cccnc1c2c(cccn2)O |
