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4MI

Summary
Name:4-methylsulfanylbenzoic acid
Formula:C8 H8 O2 S
Formal charge:0
Formula weight:168.213 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.54-methylsulfanylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyInChI1.03KWHCPERWLHBLOT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CSc1ccc(cc1)C(O)=O
SMILESCACTVS3.385CSc1ccc(cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.5CSc1ccc(cc1)C(=O)O
SMILESOpenEye OEToolkits2.0.5CSc1ccc(cc1)C(=O)O

223790

건을2024-08-14부터공개중

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