| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(OC(COP([S-])(=S)OCC[N+](C)(C)C)COC(=O)CCCC)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | WEXRBKRFCBLWEL-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(=O)OC[C@H](CO[P]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC |
| SMILES | CACTVS | 3.385 | CCCCC(=O)OC[CH](CO[P]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCCCC(=O)OCC(COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC |
