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

CUT

Summary
Name:[2,4-bis(oxidanyl)phenyl]-phenyl-methanone
Formula:C13 H10 O3
Formal charge:0
Formula weight:214.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[2,4-bis(oxidanyl)phenyl]-phenyl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChIKeyInChI1.03ZXDDPOHVAMWLBH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(c(O)c1)C(=O)c2ccccc2
SMILESCACTVS3.385Oc1ccc(c(O)c1)C(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)c2ccc(cc2O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)c2ccc(cc2O)O

218500

数据于2024-04-17公开中

PDB statisticsPDBj update infoContact PDBjnumon