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PDBeChem : Molecule Descriptors
Molecule : T4X
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C14H9F3O4/c15-14(16,17)21-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(18)6-9/h1-7,18H,(H,19,20) |
2 |
InChIKey
|
InChI |
1.06 |
GTYQGKSQYCEYBH-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F |
|