| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(=C(c1ccc(cc1)OCCCCCC(=O)O)C3C(CC2O3)S(=O)(Oc4ccc(cc4)Br)=O)c5ccc(cc5)O |
| InChI | InChI | 1.03 | InChI=1S/C30H29BrO8S/c31-21-9-15-24(16-10-21)39-40(35,36)26-18-25-28(19-5-11-22(32)12-6-19)29(30(26)38-25)20-7-13-23(14-8-20)37-17-3-1-2-4-27(33)34/h5-16,25-26,30,32H,1-4,17-18H2,(H,33,34)/t25-,26+,30+/m0/s1 |
| InChIKey | InChI | 1.03 | OYYHCTSLZWUYHC-LUXHBGHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCOc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O |
