Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/5Hf.H3O4P.11H2O.8O/c;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;;;;;(H3,1,2,3,4);11*1H2;;;;;;;;/q2*+2;2*+3;+4;;;;;;;;;;;;;;;;;;;;/p-14 |
InChIKey | InChI | 1.06 | YWHPABBSPOVOJT-UHFFFAOYSA-A |
SMILES_CANONICAL | CACTVS | 3.385 | O[Hf]123O[P@@]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5 |
SMILES | CACTVS | 3.385 | O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | O[Hf]12(O[Hf]34(O15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | O[Hf]12(O[Hf]34(O15[Hf]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O |