2I2
Summary
| Name: | (7~{S},13~{S})-1,1,3,3,5,5,9,9,11,11-decakis($l^{1}-oxidanyl)-8,10,14,15,16,17,18-heptaoxa-2,4,6,12-tetraoxonia-7$l^{5},13$l^{5}-diphospha-1$l^{6},3$l^{6},5$l^{6},9$l^{6},11$l^{6}-pentatungstanonacyclo[7.5.1.1^{1,3}.1^{3,5}.1^{5,11}.0^{2,7}.0^{4,13}.0^{6,11}.0^{9,12}]octadecane 7,13-dioxide |
| Formula: | O23 P2 W5 |
| Formal charge: | null |
| Formula weight: | 1349.134 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (7~{S},13~{S})-1,1,3,3,5,5,9,9,11,11-decakis($l^{1}-oxidanyl)-8,10,14,15,16,17,18-heptaoxa-2,4,6,12-tetraoxonia-7$l^{5},13$l^{5}-diphospha-1$l^{6},3$l^{6},5$l^{6},9$l^{6},11$l^{6}-pentatungstanonacyclo[7.5.1.1^{1,3}.1^{3,5}.1^{5,11}.0^{2,7}.0^{4,13}.0^{6,11}.0^{9,12}]octadecane 7,13-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/2HO4P.10H2O.5O.5W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;/h2*(H,1,2);10*1H2;;;;;;;;;;/q2*+2;;;;;;;;;;;;;;;;3*+2;2*+3/p-12 |
| InChIKey | InChI | 1.06 | YRVJCESOOVOMAC-UHFFFAOYSA-B |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O=[P@@]12O[W]34O[W]56O[W]7(O[W]89O[W](O3)([O+]4[P@](=O)(O5)[O+]78)[O+]19)[O+]26 |
| SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O=[P]12O[W]34O[W]56O[W]7(O[W]89O[W](O3)([O+]4[P](=O)(O5)[O+]78)[O+]19)[O+]26 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | O=[P@]12O[W]34(O[W]56([O+]1[W]7(O5)(O[W]89([O+]2[W](O3)(O8)([O+]4[P@@](=O)([O+]79)O6)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | O=P12O[W]34(O[W]56([O+]1[W]7(O5)(O[W]89([O+]2[W](O3)(O8)([O+]4P(=O)([O+]79)O6)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] |
