Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO |
SMILES | CACTVS | 3.341 | CCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1 |
InChIKey | InChI | 1.03 | REPLXGVUTGZQCG-WTTBNOFXSA-N |