TCL
Summary
| Name: | TRICLOSAN |
| Formula: | C12 H7 Cl3 O2 |
| Formal charge: | 0 |
| Formula weight: | 289.542 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
| OpenEye OEToolkits | 1.5.0 | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl |
| SMILES | CACTVS | 3.341 | Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H |
| InChIKey | InChI | 1.03 | XEFQLINVKFYRCS-UHFFFAOYSA-N |
