PCI
Summary
| Name: | PENTACHLOROPHENOL |
| Formula: | C6 H Cl5 O |
| Formal charge: | 0 |
| Formula weight: | 266.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pentachlorophenol |
| OpenEye OEToolkits | 1.5.0 | 2,3,4,5,6-pentachlorophenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
| SMILES | CACTVS | 3.341 | Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey | InChI | 1.03 | IZUPBVBPLAPZRR-UHFFFAOYSA-N |
