Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1 |
InChIKey | InChI | 1.03 | VBHWHUMRWJDMHN-UXHICEINSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCC[C@H](CC[P](O)(=O)OC)[C@H](C(C)=O)C(=O)OC |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC |