Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccccc3SC2=C(O)CC(c1c(Cl)cccc1Cl)CC2=O |
InChI | InChI | 1.03 | InChI=1S/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2/t10-/m0/s1 |
InChIKey | InChI | 1.03 | WOBNNXBIQRYYDO-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(Sc2ccccc2Cl)C(=O)C[C@H](C1)c3c(Cl)cccc3Cl |
SMILES | CACTVS | 3.385 | OC1=C(Sc2ccccc2Cl)C(=O)C[CH](C1)c3c(Cl)cccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)SC2=C(CC(CC2=O)c3c(cccc3Cl)Cl)O)Cl |