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PDBeChem : Molecule Descriptors
Molecule : P6G
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 |
2 |
InChIKey
|
InChI |
1.03 |
IIRDTKBZINWQAW-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O(CCO)CCOCCOCCOCCOCCO |
4 |
SMILES
|
CACTVS |
3.370 |
OCCOCCOCCOCCOCCOCCO |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(COCCOCCOCCOCCOCCO)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
OCCOCCOCCOCCOCCOCCO |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(COCCOCCOCCOCCOCCO)O |
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