Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [C@H](c4ccc(Oc3c1c(cc(cc1)O)sc3c2c(C(C)(F)F)cc(cc2)F)cc4)=[C@H]C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+ |
InChIKey | InChI | 1.03 | SJXNPGGVGZXKKI-NYYWCZLTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(F)(F)c1cc(F)ccc1c2sc3cc(O)ccc3c2Oc4ccc(/C=C/C(O)=O)cc4 |
SMILES | CACTVS | 3.385 | CC(F)(F)c1cc(F)ccc1c2sc3cc(O)ccc3c2Oc4ccc(C=CC(O)=O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)C=CC(=O)O)F)(F)F |