Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)(C(=O)O)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C17H23F3O4/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20/h7-8,21,24H,1-6H3,(H,22,23)/t16-/m1/s1 |
InChIKey | InChI | 1.06 | ZEMDUTKBHNQQIG-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1cc(c(O)c(c1)[C@@](O)(C(O)=O)C(F)(F)F)C(C)(C)C |
SMILES | CACTVS | 3.385 | CC(C)(C)c1cc(c(O)c(c1)[C](O)(C(O)=O)C(F)(F)F)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)[C@@](C(=O)O)(C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(c(c1)C(C(=O)O)(C(F)(F)F)O)O)C(C)(C)C |