PHH
Summary
| Name: | 4,5,6,7-TETRACHLORO-PHTHALIDE |
| Synonyms: | 4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE |
| Formula: | C8 H2 Cl4 O2 |
| Formal charge: | 0 |
| Formula weight: | 271.912 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 4,5,6,7-tetrachloro-3H-2-benzofuran-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl |
| SMILES | CACTVS | 3.341 | Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1 |
| InChI | InChI | 1.03 | InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2 |
| InChIKey | InChI | 1.03 | NMWKWBPNKPGATC-UHFFFAOYSA-N |
