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

VBV

Summary
Name:[1,1'-biphenyl]-4,4'-disulfonic acid
Formula:C12 H10 O6 S2
Formal charge:0
Formula weight:314.334 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[1,1'-biphenyl]-4,4'-disulfonic acid
OpenEye OEToolkits2.0.74-(4-sulfophenyl)benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O
InChIInChI1.03InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)
InChIKeyInChI1.03ABSXMLODUTXQDJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)[S](O)(=O)=O
SMILESCACTVS3.385O[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon