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L3Y

Summary
Name:4-(methylsulfonyl)benzaldehyde
Formula:C8 H8 O3 S
Formal charge:0
Formula weight:184.212 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(methylsulfonyl)benzaldehyde
OpenEye OEToolkits2.0.74-methylsulfonylbenzaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(c1ccc(C=O)cc1)(=O)=O
InChIInChI1.03InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKeyInChI1.03PSVPUHBSBYJSMQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1ccc(C=O)cc1
SMILESCACTVS3.385C[S](=O)(=O)c1ccc(C=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)c1ccc(cc1)C=O
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)c1ccc(cc1)C=O

217705

数据于2024-03-27公开中

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