Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(F)(F)C(O)(O)C(N)CC1CCCCC1 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CC(C(C(C(=O)O)(F)F)(O)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | SCJAAMPUNGXRHK-QMMMGPOBSA-N |