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PDBeChem : Molecule Descriptors
Molecule : 6WT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H |
2 |
InChIKey
|
InChI |
1.03 |
YVGGHNCTFXOJCH-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.5 |
c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.5 |
c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl |
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