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H3P

Summary
Name:2,2'-methanediylbis(3,4,6-trichlorophenol)
Formula:C13 H6 Cl6 O2
Formal charge:0
Formula weight:406.904 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,2'-methanediylbis(3,4,6-trichlorophenol)
OpenEye OEToolkits1.5.03,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxy-phenyl)methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1c(c(O)c(Cl)cc1Cl)Cc2c(O)c(Cl)cc(Cl)c2Cl
SMILES_CANONICALCACTVS3.341Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl
SMILESCACTVS3.341Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
SMILESOpenEye OEToolkits1.5.0c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
InChIInChI1.03InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
InChIKeyInChI1.03ACGUYXCXAPNIKK-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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