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V5B

Summary
Name:methyl sulfate
Formula:C H4 O4 S
Formal charge:0
Formula weight:112.105 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)
InChIKeyInChI1.03JZMJDSHXVKJFKW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CO[S](O)(=O)=O
SMILESCACTVS3.385CO[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COS(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7COS(=O)(=O)O

222624

PDB entries from 2024-07-17

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