Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO |
SMILES | CACTVS | 3.341 | CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3 |
InChIKey | InChI | 1.03 | SBWGZAXBCCNRTM-UHFFFAOYSA-N |