| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC2c3c(Oc1c2ccc(O)c1)cc(O)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@H]1c2ccc(O)cc2Oc3cc(O)ccc13 |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH]1c2ccc(O)cc2Oc3cc(O)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H14O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,11,17-18H,5-6H2,(H,19,20) |
| InChIKey | InChI | 1.03 | PFQGLFBMMPZYEU-UHFFFAOYSA-N |
