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PDBeChem : Molecule Descriptors
Molecule : EYO
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2 |
2 |
InChIKey
|
InChI |
1.03 |
VFTFKUDGYRBSAL-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
C1COCCOCCOCCOCCO1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
C1COCCOCCOCCOCCO1 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
C1COCCOCCOCCOCCO1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C1COCCOCCOCCOCCO1 |
|