Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1cccc(O)c1C(=O)c3c2cc(c(c3O)C(O)CC(O)CC)CC(=O)OC |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](O)C[C@@H](O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(=O)OC |
SMILES | CACTVS | 3.341 | CC[CH](O)C[CH](O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CC(c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O |
InChI | InChI | 1.03 | InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1 |
InChIKey | InChI | 1.03 | SIHNJMGWRHPFAZ-XHDPSFHLSA-N |