MNW
Summary
| Name: | 8,8,8-tris($l^{3}-oxidanyl)-2-methyl-3,9-dioxa-7-oxonia-8$l^{7}-vanadabicyclo[4.3.0]nona-1,4,6-triene 8-oxide |
| Formula: | C6 H11 O7 V |
| Formal charge: | null |
| Formula weight: | 246.089 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | triaqua[2-methyl-4-(oxo-kappaO)-4H-pyran-3-olato-kappaO~3~](oxido)vanadium(1+) |
| OpenEye OEToolkits | 3.1.0.0 | 8,8,8-tris($l^{3}-oxidanyl)-2-methyl-3,9-dioxa-7-oxonia-8$l^{7}-vanadabicyclo[4.3.0]nona-1,4,6-triene 8-oxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC=1OC=CC2=[O+][V]([OH2])([OH2])([OH2])(=O)OC=12 |
| InChI | InChI | 1.06 | InChI=1S/C6H6O3.3H2O.O.V/c1-4-6(8)5(7)2-3-9-4;;;;;/h2-3,8H,1H3;3*1H2;;/q;;;;;+2/p-1 |
| InChIKey | InChI | 1.06 | CPYZSAIYSJHMGK-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.CC1=C2O[V](=O)[O+]=C2C=CO1 |
| SMILES | CACTVS | 3.385 | O.O.O.CC1=C2O[V](=O)[O+]=C2C=CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=C2C(=[O+][V](=O)(O2)([OH2])([OH2])[OH2])C=CO1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=C2C(=[O+][V](=O)(O2)([OH2])([OH2])[OH2])C=CO1 |
