BVA
Summary
Name: | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE |
Formula: | C7 H9 N O5 V |
Formal charge: | 0 |
Formula weight: | 238.092 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2,2,2-tris(oxidanyl)-5-phenyl-1$l^{3},3-dioxa-4-aza-2$l^{5}-vanadacyclopent-5-ene |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C7H6NO2.3H2O.V/c9-7(8-10)6-4-2-1-3-5-6;;;;/h1-5H,(H-,8,9,10);3*1H2;/q-1;;;;+4/p-3 |
InChIKey | InChI | 1.06 | YGVAPMMGCYHYQY-UHFFFAOYSA-K |
SMILES_CANONICAL | CACTVS | 3.385 | O[V](O)(O)ONC(=O)c1ccccc1 |
SMILES | CACTVS | 3.385 | O[V](O)(O)ONC(=O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=O[V](ON2)(O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=O[V](ON2)(O)(O)O |