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PDBeChem : Molecule Descriptors
Molecule : B7F
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 |
2 |
InChIKey
|
InChI |
1.03 |
WXJFKAZDSQLPBX-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
FC(F)(F)C(F)(F)C(F)(F)CO |
4 |
SMILES
|
CACTVS |
3.385 |
OCC(F)(F)C(F)(F)C(F)(F)F |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(C(C(C(F)(F)F)(F)F)(F)F)O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
OCC(F)(F)C(F)(F)C(F)(F)F |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(C(C(C(F)(F)F)(F)F)(F)F)O |
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