Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[P@@](O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C |
SMILES | CACTVS | 3.341 | CCCCCC[P](O)(=O)O[CH]1C[CH](C)CC[CH]1C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCP(=O)(O)OC1CC(CCC1C(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1 |
InChIKey | InChI | 1.03 | WAVIZOVSJOXCKT-XHSDSOJGSA-N |