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PDBeChem : Molecule Descriptors
Molecule : EOL
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
2 |
InChIKey
|
InChI |
1.03 |
RRAFCDWBNXTKKO-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
Oc1ccc(cc1OC)C\C=C |
4 |
SMILES
|
CACTVS |
3.370 |
COc1cc(CC=C)ccc1O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
COc1cc(ccc1O)CC=C |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
COc1cc(CC=C)ccc1O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
COc1cc(ccc1O)CC=C |
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