PCQ
Summary
| Name: | 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL |
| Formula: | C12 H6 Cl4 O2 |
| Formal charge: | 0 |
| Formula weight: | 323.987 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol |
| OpenEye OEToolkits | 1.5.0 | 2,6-dichloro-4-(3,5-dichloro-4-hydroxy-phenyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2 |
| SMILES | CACTVS | 3.341 | Oc1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H |
| InChIKey | InChI | 1.03 | YCYDXOVJXVALHY-UHFFFAOYSA-N |
