Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1 |
InChIKey | InChI | 1.03 | BVJSKAUUFXBDOB-SFTDATJTSA-M |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O |
SMILES | OpenEye OEToolkits | 1.7.5 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O |