種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2 |
InChI | InChI | 1.03 | InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1 |
InChIKey | InChI | 1.03 | ADFOLUXMYYCTRR-ZIAGYGMSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |
SMILES | CACTVS | 3.385 | COc1cc(C[CH](C)[CH](C)Cc2ccc(O)c(OC)c2)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(Cc1ccc(c(c1)OC)O)C(C)Cc2ccc(c(c2)OC)O |