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T5I

Summary
Name:2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one
Formula:C19 H25 Cl O6 S Si
Formal charge:0
Formula weight:445.002 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=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
InChIKeyInChI1.06UGVCBTJADGMNTL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)C(=O)C2=C(O)CCCC2=O
SMILESCACTVS3.385C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)C(=O)C2=C(O)CCCC2=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[Si](C)(C)CCOc1c(ccc(c1Cl)C(=O)C2=C(CCCC2=O)O)S(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7C[Si](C)(C)CCOc1c(ccc(c1Cl)C(=O)C2=C(CCCC2=O)O)S(=O)(=O)C

224931

数据于2024-09-11公开中

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