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PDBeChem : Molecule Descriptors
Molecule : CXE
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
QAXPOSPGRHYIHE-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O(CCO)CCOCCOCCOCCOCCCCCCCCCC |
4 |
SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCOCCOCCOCCOCCOCCO |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCOCCOCCOCCOCCOCCO |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCOCCOCCOCCOCCOCCO |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCOCCOCCOCCOCCOCCO |
|