種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1O)C(F)(F)F)C3CC2CCC(C2(CC3)C)O |
InChI | InChI | 1.03 | InChI=1S/C17H21F3O2/c1-16-7-6-10(8-11(16)2-5-15(16)22)13-4-3-12(21)9-14(13)17(18,19)20/h3-4,9-11,15,21-22H,2,5-8H2,1H3/t10-,11+,15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | XVVWOISMGPCHID-OJXGSEEGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(O)cc3C(F)(F)F |
SMILES | CACTVS | 3.385 | C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)cc3C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CC12CCC(CC1CCC2O)c3ccc(cc3C(F)(F)F)O |