6OR
Summary
| Name: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid |
| Formula: | C6 H4 Cl2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 243.065 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid |
| OpenEye OEToolkits | 2.0.4 | 3,5-bis(chloranyl)-4-oxidanyl-benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(c(c(cc1S(O)(=O)=O)Cl)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | PGDCAFRJYQICAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O |
