Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=1S(C=C(C=1c2c(Cl)cc(O)cc2)c3c(Cl)cc(O)cc3)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C16H10Cl2O4S/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 | YAJJGZGGQSGJNJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(Cl)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3Cl |
SMILES | CACTVS | 3.385 | Oc1ccc(c(Cl)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O |