種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | VSHLILKLIDPGCI-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@](C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O |
SMILES | CACTVS | 3.385 | CC1(C)C[C](C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1(CC(Oc2c1cc(c(c2)O)Cl)(C)c3cc(c(cc3O)O)Cl)C |