NE1
Summary
| Name: | 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL |
| Formula: | C12 H5 Cl5 O |
| Formal charge: | 0 |
| Formula weight: | 342.432 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2',3,3',4',5-pentachlorobiphenyl-4-ol |
| OpenEye OEToolkits | 1.5.0 | 2,6-dichloro-4-(2,3,4-trichlorophenyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl |
| SMILES | CACTVS | 3.341 | Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H |
| InChIKey | InChI | 1.03 | YICLFMBHTHJFHZ-UHFFFAOYSA-N |
