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PDBeChem : Molecule Descriptors
Molecule : PEJ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1 |
2 |
InChIKey
|
InChI |
1.06 |
KHIWWQKSHDUIBK-UHFFFAOYSA-M |
3 |
SMILES
|
ACDLabs |
10.04 |
[O-]I(=O)(=O)=O |
4 |
SMILES
|
CACTVS |
3.385 |
[O-][I](=O)(=O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
[O-]I(=O)(=O)=O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
[O-][I](=O)(=O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
[O-]I(=O)(=O)=O |
|