Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(OCC(Cc1ccccc1)C)CCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[P@@](O)(=O)OC[C@H](C)Cc1ccccc1 |
SMILES | CACTVS | 3.341 | CCCCCC[P](O)(=O)OC[CH](C)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCP(=O)(O)OCC(C)Cc1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | MMTDYBZZRYOMFD-OAHLLOKOSA-N |