Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

91C

Summary
Name:(2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Formula:C15 H10 Cl2 O5
Formal charge:0
Formula weight:341.143 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1
InChIKeyInChI1.03QMQREYZMFZIOBC-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3cc(Cl)c(O)c(Cl)c3
SMILESCACTVS3.385Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(cc(c(c1Cl)O)Cl)[C@H]2CC(=O)c3c(cc(cc3O2)O)O
SMILESOpenEye OEToolkits2.0.7c1c(cc(c(c1Cl)O)Cl)C2CC(=O)c3c(cc(cc3O2)O)O

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon