Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F |
InChI | InChI | 1.03 | InChI=1S/C14H7F5O4/c15-8-6(9(16)11(18)12(19)10(8)17)3-5-4(14(22)23)1-2-7(20)13(5)21/h1-2,20-21H,3H2,(H,22,23) |
InChIKey | InChI | 1.03 | OKFLUGFRGVSRHK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O |