Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCC)CCCCC |
InChI | InChI | 1.03 | InChI=1S/C18H35O10P/c1-3-5-7-9-17(21)25-13-16(28-18(22)10-8-6-4-2)14-27-29(23,24)26-12-15(20)11-19/h15-16,19-20H,3-14H2,1-2H3,(H,23,24)/t15-,16+/m1/s1 |
InChIKey | InChI | 1.03 | CNAHGDCINXNHER-CVEARBPZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)OC[C@@H](CO[P](O)(=O)OC[C@H](O)CO)OC(=O)CCCCC |
SMILES | CACTVS | 3.385 | CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC |