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PSY

Summary
Name:phenyl ethenesulfonate
Formula:C8 H8 O3 S
Formal charge:0
Formula weight:184.212 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04phenyl ethenesulfonate
OpenEye OEToolkits1.5.0phenyl ethenesulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Oc1ccccc1)\C=C
SMILES_CANONICALCACTVS3.341C=C[S](=O)(=O)Oc1ccccc1
SMILESCACTVS3.341C=C[S](=O)(=O)Oc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0C=CS(=O)(=O)Oc1ccccc1
SMILESOpenEye OEToolkits1.5.0C=CS(=O)(=O)Oc1ccccc1
InChIInChI1.03InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyInChI1.03CILDJVVXNMDAGY-UHFFFAOYSA-N

227111

PDB entries from 2024-11-06

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