A1JFD
Summary
| Name: | 2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid |
| Synonyms: | dioxovanadium(V) complex of malic acid |
| Formula: | C4 H8 O10 V2 |
| Formal charge: | 1 |
| Formula weight: | 317.983 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,7-dioxa-5-oxonia-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C4H5O5.4H2O.O.2V/c5-2(4(8)9)1-3(6)7;;;;;;;/h2H,1H2,(H,6,7)(H,8,9);4*1H2;;;/q+1;;;;;;+2;+3/p-5/t2-;;;;;;;/m0......./s1 |
| InChIKey | InChI | 1.06 | SZLWDXFDQGIOCQ-DXXUISRYSA-I |
| 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 | 2.0.7 | C([C@H]1C(=O)O[V]2([O+]1[V](O2)(O)O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(=O)O[V]2([O+]1[V](O2)(O)O)(O)O)C(=O)O |
