Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(/C=C/C(=O)O)cc1 |
InChI | InChI | 1.03 | InChI=1S/C29H24F3NO7S/c30-29(31,32)16-33(20-8-1-17(2-9-20)3-14-25(36)37)41(38,39)24-15-23-26(18-4-10-21(34)11-5-18)27(28(24)40-23)19-6-12-22(35)13-7-19/h1-14,23-24,28,34-35H,15-16H2,(H,36,37)/b14-3+/t23-,24+,28+/m0/s1 |
InChIKey | InChI | 1.03 | WTEAVYHKJTUWSK-OARPOOJSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[C@@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5 |
SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CC(=O)O)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc5)O |