TSU

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Summary

Name:PARA-TOLUENE SULFONATE
Formula:C7 H8 O3 S
Formal charge:0
Molecular weight:172.202 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methylbenzenesulfonic acid
OpenEye OEToolkits1.7.04-methylbenzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c1ccc(cc1)C
SMILES_CANONICALCACTVS3.370Cc1ccc(cc1)[S](O)(=O)=O
SMILESCACTVS3.370Cc1ccc(cc1)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc(cc1)S(=O)(=O)O
SMILESOpenEye OEToolkits1.7.0Cc1ccc(cc1)S(=O)(=O)O
InChIInChI1.03InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyInChI1.03JOXIMZWYDAKGHI-UHFFFAOYSA-N