Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

VOD

Summary
Name:(4-VINYLPHENYL)METHANESULFONIC ACID
Formula:C9 H10 O3 S
Formal charge:0
Formula weight:198.239 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4-ethenylphenyl)methanesulfonic acid
OpenEye OEToolkits1.7.6(4-ethenylphenyl)methanesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)Cc1ccc(cc1)\C=C
InChIInChI1.03InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)
InChIKeyInChI1.03SDXKWPVFZWZYNK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)Cc1ccc(C=C)cc1
SMILESCACTVS3.385O[S](=O)(=O)Cc1ccc(C=C)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6C=Cc1ccc(cc1)CS(=O)(=O)O
SMILESOpenEye OEToolkits1.7.6C=Cc1ccc(cc1)CS(=O)(=O)O

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon