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PDBeChem : Molecule Descriptors
Molecule : DCR
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
2 |
InChIKey
|
InChI |
1.03 |
VKOBVWXKNCXXDE-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(O)CCCCCCCCCCCCCCCCCCC |
4 |
SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCCCCCCCCCCC(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCCCCCCCCC(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCCCCCCCCCCC(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCCCCCCCCC(=O)O |
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