Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | ACDLabs | 10.04 | O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCCCCCC |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1 |
InChIKey | InChI | 1.03 | KKOSJVWUOHEQKA-HSZRJFAPSA-M |