A1JFD
Summary
| Name: | 2-[(4~{S})-1,1,3,6,6-pentakis(oxidanylidene)-2,7-dioxa-5-oxonia-1$l^{7},6$l^{6}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid |
| Synonyms: | dioxovanadium(V) complex of malic acid |
| Formula: | C4 H4 O10 V2 |
| Formal charge: | null |
| Formula weight: | 313.952 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | {mu-[(2S)-3-carboxy-2-(oxido-2kappaO)propanoato-1kappaO]}mu-oxidotetrakis(oxido)divanadium(1+) |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(4~{S})-1,1,3,6,6-pentakis(oxidanylidene)-2,7-dioxa-5-oxonia-1$l^{7},6$l^{6}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=[V]12(=O)O[V](=O)(=O)[O+]2C(CC(=O)O)C(=O)O1 |
| InChI | InChI | 1.06 | InChI=1S/C4H5O5.5O.2V/c5-2(4(8)9)1-3(6)7;;;;;;;/h2H,1H2,(H,6,7)(H,8,9);;;;;;;/q+1;;;;;;;+1/p-1/t2-;;;;;;;/m0......./s1 |
| InChIKey | InChI | 1.06 | ZYFHOLDZBWTPSZ-DXXUISRYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1[O+]2[V](=O)(=O)O[V]2(=O)(=O)OC1=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1[O+]2[V](=O)(=O)O[V]2(=O)(=O)OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C([C@H]1C(=O)O[V]2(=O)(=O)[O+]1[V](=O)(=O)O2)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(C1C(=O)O[V]2(=O)(=O)[O+]1[V](=O)(=O)O2)C(=O)O |
