Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)C4Oc2c(cc(O)cc2C3CCCC34)COC |
SMILES_CANONICAL | CACTVS | 3.341 | COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c4ccc(O)cc4 |
SMILES | CACTVS | 3.341 | COCc1cc(O)cc2[CH]3CCC[CH]3[CH](Oc12)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COCc1cc(cc2c1OC(C3C2CCC3)c4ccc(cc4)O)O |
InChI | InChI | 1.03 | InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1 |
InChIKey | InChI | 1.03 | RHQLNMNKTIOREN-AOIWGVFYSA-N |