RG6
Summary
| Name: | 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol |
| Formula: | C8 H3 Cl F6 O S2 |
| Formal charge: | 0 |
| Formula weight: | 328.682 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4,6-bis(trifluoromethylsulfanyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F |
| 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 |
| InChIKey | InChI | 1.06 | VFNOHWLGFSZWDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F |
