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PDBeChem : Molecule Descriptors
Molecule : DW3
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 |
2 |
InChIKey
|
InChI |
1.03 |
WGCNASOHLSPBMP-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OCC=O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(C=O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OCC=O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(C=O)O |
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