種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC |
InChI | InChI | 1.03 | InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1 |
InChIKey | InChI | 1.03 | DVZARZBAWHITHR-GOSISDBHSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC |
SMILES | CACTVS | 3.385 | CCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC |