Structural Complex
Chemical ID: HF3
IUPAC Name: SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3
Formal Charge: -6
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: H7 Hf3 O15 P
Molecular weight: 813.490
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/3Hf.H3O4P.7H2O.4O/c;;;1-5(2,3)4;;;;;;;;;;;/h;;;(H3,1,2,3,4);7*1H2;;;;/q2*+3;+4;;;;;;;;;;;;/p-10
InChIKey InChI 1.06 RDEYJDUCCAQDEG-UHFFFAOYSA-D
SMILES_CANONICAL CACTVS 3.385 O[Hf]12(O)O[P@@]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4
SMILES CACTVS 3.385 O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O
SMILES OpenEye OEToolkits 2.0.7 O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O
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