VTZ
Summary
| Name: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4 |
| Formula: | C8 H10 N O6 V |
| Formal charge: | 0 |
| Formula weight: | 267.11 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11NO2.4O.V/c1-3-6-8(11)7(10)4-5-9(6)2;;;;;/h4-5,11H,3H2,1-2H3;;;;;/q;;3*-1;+4/p-1 |
| InChIKey | InChI | 1.06 | PNFKDCNTOXLWCD-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C |
| SMILES | CACTVS | 3.385 | CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C |
