LJL
Summary
| Name: | (1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |
| Formula: | C17 H20 O6 |
| Formal charge: | 0 |
| Formula weight: | 320.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m1/s1 |
| InChIKey | InChI | 1.06 | DFUOJBWSSSODTR-PXAZEXFGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)[C@H](O)[C@H](CO)c2ccc(O)c(OC)c2 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)[C@@H](CO)[C@H](c2ccc(c(c2)OC)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O)O |
