WDO
Summary
| Name: | 1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene |
| Formula: | C12 H10 Cl O3 S |
| Formal charge: | 1 |
| Formula weight: | 269.724 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(4-chlorophenoxy)phenyl](dihydroxy)sulfanium |
| OpenEye OEToolkits | 2.0.7 | [4-(4-chloranylphenoxy)phenyl]-bis(oxidanyl)sulfanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(Oc2ccc(cc2)[S+](O)O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H10ClO3S/c13-9-1-3-10(4-2-9)16-11-5-7-12(8-6-11)17(14)15/h1-8,14-15H/q+1 |
| InChIKey | InChI | 1.06 | MQBYOBGLLNZOMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S+](O)c1ccc(Oc2ccc(Cl)cc2)cc1 |
| SMILES | CACTVS | 3.385 | O[S+](O)c1ccc(Oc2ccc(Cl)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Oc2ccc(cc2)Cl)[S+](O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Oc2ccc(cc2)Cl)[S+](O)O |
