I3Y
Summary
| Name: | aqua(oxido)(quinolin-8-olato-kappa~2~N,O)vanadium(1+) |
| Formula: | C9 H8 N O3 V |
| Formal charge: | null |
| Formula weight: | 229.106 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | aqua(oxido)(quinolin-8-olato-kappa~2~N,O)vanadium(1+) |
| OpenEye OEToolkits | 3.1.0.0 | 2-$l^{3}-oxidanyl-3-oxa-1-azonia-2$l^{5}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene 2-oxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [OH2][V]1(=O)Oc2cccc3ccc[n+]1c32 |
| InChI | InChI | 1.06 | InChI=1S/C9H7NO.H2O.O.V/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;1H2;;/q;;;+2/p-1 |
| InChIKey | InChI | 1.06 | OLTLZZZIOMKEFV-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O=[V]1Oc2cccc3ccc[n+]1c23 |
| SMILES | CACTVS | 3.385 | O.O=[V]1Oc2cccc3ccc[n+]1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2ccc[n+]3c2c(c1)O[V]3(=O)[OH2] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2ccc[n+]3c2c(c1)O[V]3(=O)[OH2] |
