OMF
Summary
| Name: | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene |
| Formula: | C13 H8 Cl4 O |
| Formal charge: | 0 |
| Formula weight: | 322.014 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | ZPWFINDBNFLFDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl |
