TXQ
Summary
| Name: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione |
| Synonyms: | 1,2,5,8-tetrahydroxy-anthraquinone |
| Formula: | C14 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 272.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,2,5,8-tetrahydroxyanthracene-9,10-dione |
| OpenEye OEToolkits | 1.5.0 | 1,2,5,8-tetrahydroxyanthracene-9,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O |
| SMILES | CACTVS | 3.341 | Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H |
| InChIKey | InChI | 1.03 | VBHKTXLEJZIDJF-UHFFFAOYSA-N |
