PHH
4,5,6,7-TETRACHLORO-PHTHALIDE
Created: | 2000-10-25 |
Last modified: | 2021-03-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 0 |
Bond Count | 17 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4,5,6,7-TETRACHLORO-PHTHALIDE |
Synonyms | 4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE |
Systematic Name (OpenEye OEToolkits) | 4,5,6,7-tetrachloro-3H-2-benzofuran-1-one |
Formula | C8 H2 Cl4 O2 |
Molecular Weight | 271.912 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl |
SMILES | CACTVS | 3.341 | Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1 |
Canonical SMILES | CACTVS | 3.341 | Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl |
Canonical 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 |
Drug Info: DrugBank
DrugBank ID | DB03302 |
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Name | 4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One |
Groups | experimental |
Synonyms | 4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One |
Related Resource References
Resource Name | Reference |
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PubChem | 33791 |
ChEMBL | CHEMBL357452 |
ChEBI | CHEBI:47617 |