E43
Summary
| Name: | 12-POLYTUNGSTATE |
| Formula: | O40 W12 |
| Formal charge: | null |
| Formula weight: | 2846.056 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2,4,6,8,10,12,14,16,18,20,22,24,25,26$l^{3},27,28,29,30$l^{3},31,32,33$l^{3},34,35,36,37,38,39$l^{3},40-octacosaoxa-1$l^{7},3$l^{7},5$l^{7},7$l^{7},9$l^{7},11$l^{7},13$l^{7},15$l^{7},17$l^{7},19$l^{7},21$l^{7},23$l^{7}-dodecatungstahenicosacyclo[19.3.1.1^{1,5}.1^{1,5}.1^{3,17}.1^{3,19}.1^{5,15}.1^{7,15}.1^{7,23}.1^{9,13}.1^{9,23}.1^{9,23}.1^{11,19}.1^{11,21}.1^{11,21}.1^{13,17}.1^{13,17}.0^{3,39}.0^{7,26}.0^{15,33}.0^{19,30}]tetracontane 1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/40O.12W |
| InChIKey | InChI | 1.06 | BMAQDYIGKKCQGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[W]123O[W]45(=O)O[W]67(=O)(O1)O[W]89(=O)O[W]%10%11(=O)O[W]%12(=O)(O2)(O8)O[W]%13(=O)(O3)(O%12)O[W]%14%15(=O)(O4)O[W]%16(=O)(O%10)(O%13)O[W]%17(=O)(O%11)(O[W](=O)(O9)(O6)(O7)O[W](=O)(O5)(O%14)(O%15)O%17)O%16 |
| SMILES | CACTVS | 3.385 | O=[W]123O[W]45(=O)O[W]67(=O)(O1)O[W]89(=O)O[W]%10%11(=O)O[W]%12(=O)(O2)(O8)O[W]%13(=O)(O3)(O%12)O[W]%14%15(=O)(O4)O[W]%16(=O)(O%10)(O%13)O[W]%17(=O)(O%11)(O[W](=O)(O9)(O6)(O7)O[W](=O)(O5)(O%14)(O%15)O%17)O%16 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | O=[W]1234O[W]567(=O)O1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)O9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)O1[W](=O)(O%11)(O5)(O6)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)O1[W](=O)(O4)(O5)(O9)O3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | O=[W]1234O[W]567(=O)O1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)O9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)O1[W](=O)(O%11)(O5)(O6)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)O1[W](=O)(O4)(O5)(O9)O3 |
