I3Y
Summary
| Name: | 2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene |
| Formula: | C9 H8 N O3 V |
| Formal charge: | 1 |
| Formula weight: | 229.106 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2-bis(oxidanyl)-3-oxa-1-azonia-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H7NO.2H2O.V/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;2*1H2;/q;;;+4/p-3 |
| InChIKey | InChI | 1.06 | VHSPINZPWRCWRI-UHFFFAOYSA-K |
| SMILES_CANONICAL | CACTVS | 3.385 | O[V]1(O)Oc2cccc3ccc[n+]1c23 |
| SMILES | CACTVS | 3.385 | O[V]1(O)Oc2cccc3ccc[n+]1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2ccc[n+]3c2c(c1)O[V]3(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2ccc[n+]3c2c(c1)O[V]3(O)O |
