VTU
Summary
| Name: | bis-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(IV)O2 |
| Synonyms: | 2,2'-diethyl-3,3'-dimethyl-8,8'-spirobi[7$l^{3},9-dioxa-3-aza-8$l^{8}-vanadabicyclo[4.3.0]nona-1,4,6-triene] 8,8-dioxide |
| Formula: | C16 H20 N2 O6 V |
| Formal charge: | 2 |
| Formula weight: | 387.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2'-diethyl-3,3'-dimethyl-8,8'-spirobi[7$l^{3},9-dioxa-3-aza-8$l^{8}-vanadabicyclo[4.3.0]nona-1,4,6-triene] 8,8-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/2C8H11NO2.2O.V/c2*1-3-6-8(11)7(10)4-5-9(6)2;;;/h2*4-5,11H,3H2,1-2H3;;;/q;;;;+4/p-2 |
| InChIKey | InChI | 1.06 | AZLTYIAFEATFKJ-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C2O[V+4]3(=O)(=O)(OC4=C(CC)N(C)C=CC4=[O-]3)[O-]=C2C=CN1C |
| SMILES | CACTVS | 3.385 | CCC1=C2O[V+4]3(=O)(=O)(OC4=C(CC)N(C)C=CC4=[O-]3)[O-]=C2C=CN1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC1=C2C(=[O-][V+4]3(=O)(=O)(O2)[O-]=C4C=CN(C(=C4O3)CC)C)C=CN1C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1=C2C(=[O-][V+4]3(=O)(=O)(O2)[O-]=C4C=CN(C(=C4O3)CC)C)C=CN1C |
