K2I
Summary
Name: | 2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione |
Formula: | C6 H2 Br2 O2 |
Formal charge: | 0 |
Formula weight: | 265.887 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H |
InChIKey | InChI | 1.06 | KNPAQJBQOIAPBP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | BrC1=CC(=O)C(=CC1=O)Br |
SMILES | CACTVS | 3.385 | BrC1=CC(=O)C(=CC1=O)Br |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)C=C(C1=O)Br)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)C=C(C1=O)Br)Br |