Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1 |
InChIKey | InChI | 1.03 | MHXCIKYXNYCMHY-SXGZJXTBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O |
SMILES | CACTVS | 3.385 | COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)CC2COC(C2CO)c3ccc(c(c3)OC)O |