K3C
Summary
| Name: | 2-phenylcyclohexa-2,5-diene-1,4-dione |
| Formula: | C12 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 184.191 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-phenylcyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H |
| InChIKey | InChI | 1.06 | RLQZIECDMISZHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=CC(=O)C(=C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1C=CC(=O)C(=C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=CC(=O)C=CC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=CC(=O)C=CC2=O |
