Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(c(cc1)c3sc(c2c(cc(cc2)O)Cl)cc3)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H |
InChIKey | InChI | 1.03 | VTUSJVDCYSEYNA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl |
SMILES | CACTVS | 3.385 | Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O |