Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | LBQIJVLKGVZRIW-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c4ccc(O)cc4O |
SMILES | CACTVS | 3.385 | CC1(C)Oc2ccc3C[CH](COc3c2C=C1)c4ccc(O)cc4O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C=Cc2c(ccc3c2OCC(C3)c4ccc(cc4O)O)O1)C |