50Q
Summary
| Name: | 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol |
| Formula: | C12 H8 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 271.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(3,4-dichlorophenoxy)benzene-1,3-diol |
| OpenEye OEToolkits | 1.9.2 | 5-[3,4-bis(chloranyl)phenoxy]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc(Oc1cc(O)cc(O)c1)cc2Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H8Cl2O3/c13-11-2-1-9(6-12(11)14)17-10-4-7(15)3-8(16)5-10/h1-6,15-16H |
| InChIKey | InChI | 1.03 | MACRIRNSUBEWEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl |
