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WRW

Summary
Name:4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
Synonyms:1,3,5-Tris(4-carboxyphenyl)benzene
Formula:C27 H18 O6
Formal charge:0
Formula weight:438.428 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyInChI1.06SATWKVZGMWCXOJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(cc1)c2cc(cc(c2)c3ccc(cc3)C(O)=O)c4ccc(cc4)C(O)=O
SMILESCACTVS3.385OC(=O)c1ccc(cc1)c2cc(cc(c2)c3ccc(cc3)C(O)=O)c4ccc(cc4)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1c2cc(cc(c2)c3ccc(cc3)C(=O)O)c4ccc(cc4)C(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1c2cc(cc(c2)c3ccc(cc3)C(=O)O)c4ccc(cc4)C(=O)O)C(=O)O

221051

PDB entries from 2024-06-12

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