Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(c3c(c2c(cc(c1cc(ccc1)OC)cc2)o3)CC(O)=O)ccc(c4)OC |
InChI | InChI | 1.03 | InChI=1S/C24H20O5/c1-27-18-9-6-15(7-10-18)24-21(14-23(25)26)20-11-8-17(13-22(20)29-24)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3,(H,25,26) |
InChIKey | InChI | 1.03 | TZSONHMMMFCHKL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc(OC)c4 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc(OC)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O |