Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1 |
InChIKey | InChI | 1.03 | XPIVOYOQXKNYHA-YHQUGGNUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | CCCCCCCNC(=O)OC[CH]1O[CH](OC)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)O |