Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCC(=O)OC[C@H](CO[P](O)(O)(O)O)OC(=O)CCC |
SMILES | CACTVS | 3.341 | CCCC(=O)OC[CH](CO[P](O)(O)(O)O)OC(=O)CCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=O)OCC(COP(O)(O)(O)O)OC(=O)CCC |
InChI | InChI | 1.03 | InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1 |
InChIKey | InChI | 1.03 | YBSWGBVCGAZBHG-SECBINFHSA-N |