3O7
Summary
| Name: | 1,4,5,8-tetrahydroxyanthracene-9,10-dione |
| Synonyms: | 1,4,5,8-Tetrahydroxy anthraquinone |
| Formula: | C14 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 272.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,4,5,8-tetrahydroxyanthracene-9,10-dione |
| OpenEye OEToolkits | 1.7.6 | 1,4,5,8-tetrakis(oxidanyl)anthracene-9,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(c(O)ccc1O)C(=O)c3c2c(O)ccc3O |
| InChI | InChI | 1.03 | InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H |
| InChIKey | InChI | 1.03 | SOGCSKLTQHBFLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
| SMILES | CACTVS | 3.385 | Oc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O |
