FT1
Summary
| Name: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde |
| Formula: | C13 H8 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 283.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde |
| OpenEye OEToolkits | 1.7.6 | 4-[2,4-bis(chloranyl)phenoxy]-3-oxidanyl-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cc(Cl)ccc2Oc1ccc(C=O)cc1O |
| InChI | InChI | 1.03 | InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H |
| InChIKey | InChI | 1.03 | GKHZEXMYTPRFKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl |
| SMILES | CACTVS | 3.370 | Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl |
