| PDB CCD ID: | AIV |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H9 N2 O6 V |
| InChI: | InChI=1S/2C6H5NO2.H2O.O.V/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);1H2;;/q;;;;+8/p-3 |
| InChIKey: | MPIJUROFANKBHX-UHFFFAOYSA-K |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C4O[V+3]2(=O)(O)(OC(=O)c1[n+]2cccc1)[n+]3ccccc34 | | CACTVS 3.385 | O[V+3]12(=O)(OC(=O)c3cccc[n+]13)OC(=O)c4cccc[n+]24 | | OpenEye OEToolkits 1.9.2 | c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O |
|
| Name: | hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~N,O)vanadium(3+) |
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