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PDBeChem : Molecule Descriptors
Molecule : RG6
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H |
2 |
InChIKey
|
InChI |
1.06 |
VFNOHWLGFSZWDJ-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F |
4 |
SMILES
|
CACTVS |
3.385 |
Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F |
|