種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cc(O)ccc1C2=CS(=O)(=O)C=C2c3c(cc(O)cc3)F |
InChI | InChI | 1.03 | InChI=1S/C16H10F2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H |
InChIKey | InChI | 1.03 | NSLCRKQKPFUSRU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(F)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3F |
SMILES | CACTVS | 3.385 | Oc1ccc(c(F)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O |