Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H25ClO6SSi/c1-27(24,25)15-9-8-12(17(20)19(15)26-10-11-28(2,3)4)18(23)16-13(21)6-5-7-14(16)22/h8-9,21H,5-7,10-11H2,1-4H3 |
InChIKey | InChI | 1.06 | UGVCBTJADGMNTL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)C(=O)C2=C(O)CCCC2=O |
SMILES | CACTVS | 3.385 | C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)C(=O)C2=C(O)CCCC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[Si](C)(C)CCOc1c(ccc(c1Cl)C(=O)C2=C(CCCC2=O)O)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | C[Si](C)(C)CCOc1c(ccc(c1Cl)C(=O)C2=C(CCCC2=O)O)S(=O)(=O)C |