Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCCCOP(=O)(OCC(O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCC(=O)OCCCO[P@@](O)(=O)OC[C@@H](O)CO[P@@](O)(=O)OCCCOC(C)=O |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OCCCOC(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(COP(=O)(O)OCCCOC(=O)C)O |
InChI | InChI | 1.03 | InChI=1S/C26H52O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(29)35-19-16-21-37-41(32,33)39-23-25(28)22-38-40(30,31)36-20-15-18-34-24(2)27/h25,28H,3-23H2,1-2H3,(H,30,31)(H,32,33)/t25-/m0/s1 |
InChIKey | InChI | 1.03 | UKWPDXFRXMWSMQ-VWLOTQADSA-N |