Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H19FO5/c1-15-12-18(27)7-9-20(15)25-22(21-10-8-19(28)14-23(21)32-26(25)31)13-17-4-2-16(3-5-17)6-11-24(29)30/h2-12,14,28H,13H2,1H3,(H,29,30)/b11-6+ |
InChIKey | InChI | 1.03 | OESYVSZPQCBFQS-IZZDOVSWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(F)ccc1C2=C(Cc3ccc(\C=C\C(O)=O)cc3)c4ccc(O)cc4OC2=O |
SMILES | CACTVS | 3.385 | Cc1cc(F)ccc1C2=C(Cc3ccc(C=CC(O)=O)cc3)c4ccc(O)cc4OC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)C=CC(=O)O)F |