| PDB CCD ID: | 40J |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H19 Cl3 O8 |
| InChI: | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 |
| InChIKey: | BAQAVOSOZGMPRM-QBMZZYIRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O | | CACTVS 3.385 | OC[CH]1O[CH](O[C]2(CCl)O[CH](CCl)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1Cl | | ACDLabs 12.01 | ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO | | OpenEye OEToolkits 1.7.6 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O | | CACTVS 3.385 | OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl |
|
| Name: | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside;
sucralose |
umich.edu