OA0
Summary
| Name: | (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione |
| Formula: | C12 H8 O6 S |
| Formal charge: | 0 |
| Formula weight: | 280.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione |
| OpenEye OEToolkits | 2.0.7 | 6,6-bis(oxidanylidene)benzo[c][2,1]benzoxathiine-3,8,9-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc2c3cc(O)c(O)cc3S(=O)(=O)Oc2c1 |
| InChI | InChI | 1.03 | InChI=1S/C12H8O6S/c13-6-1-2-7-8-4-9(14)10(15)5-12(8)19(16,17)18-11(7)3-6/h1-5,13-15H |
| InChIKey | InChI | 1.03 | XTOJDXLKTMASKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2c(O[S](=O)(=O)c3cc(O)c(O)cc23)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc2c(O[S](=O)(=O)c3cc(O)c(O)cc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc-2c(cc1O)OS(=O)(=O)c3c2cc(c(c3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2c(cc1O)OS(=O)(=O)c3c2cc(c(c3)O)O |
