QOI
Summary
| Name: | 1,3,8-tris(oxidanyl)anthracene-9,10-dione |
| Formula: | C14 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 256.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1,3,8-tris(oxidanyl)anthracene-9,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)14(19)11-7(13(8)18)2-1-3-9(11)16/h1-5,15-17H |
| InChIKey | InChI | 1.06 | VVEKCQAFOLKNKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O |
