B1T
Summary
| Name: | 2,2'-sulfanediylbis(4,6-dichlorophenol) |
| Formula: | C12 H6 Cl4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 356.052 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,2'-sulfanediylbis(4,6-dichlorophenol) |
| OpenEye OEToolkits | 1.5.0 | 2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfanyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2cc(Cl)cc(Sc1cc(Cl)cc(Cl)c1O)c2O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O |
| SMILES | CACTVS | 3.341 | Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H |
| InChIKey | InChI | 1.03 | JFIOVJDNOJYLKP-UHFFFAOYSA-N |
