| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc(c(c1)O)O)[C@H]=CC(=O)OC(C(=O)O)C(OC([C@H]=[C@H]c2ccc(c(c2)O)O)=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | YDDGKXBLOXEEMN-IABMMNSOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](OC(=O)C=Cc1ccc(O)c(O)c1)[CH](OC(=O)C=Cc2ccc(O)c(O)c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1C=CC(=O)OC(C(C(=O)O)OC(=O)C=Cc2ccc(c(c2)O)O)C(=O)O)O)O |
