EKU
Summary
| Name: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one |
| Formula: | C13 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 260.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H |
| InChIKey | InChI | 1.03 | MPXAWSABMVLIBU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O |
