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7HN

Summary
Name:3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID
Formula:C14 H7 F5 O4
Formal charge:0
Formula weight:334.195 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,4-dihydroxy-2-(pentafluorobenzyl)benzoic acid
OpenEye OEToolkits1.7.63,4-bis(oxidanyl)-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F
InChIInChI1.03InChI=1S/C14H7F5O4/c15-8-6(9(16)11(18)12(19)10(8)17)3-5-4(14(22)23)1-2-7(20)13(5)21/h1-2,20-21H,3H2,(H,22,23)
InChIKeyInChI1.03OKFLUGFRGVSRHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F
SMILESCACTVS3.385OC(=O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O

226707

PDB entries from 2024-10-30

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